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4-[(2,4-dimethoxyphenyl)({[(9H-fluoren-9-ylmethoxy)carbonyl]amino})methyl]phenoxyacetic acid

4-[(2,4-dimethoxyphenyl)({[(9H-fluoren-9-ylmethoxy)carbonyl]amino})methyl]phenoxyacetic acid

CAS: 126828-35-1

Formula: C32H29NO7

SMILES: COC1=CC=C(C(NC(=O)OCC2C3=C(C=CC=C3)C3=C2C=CC=C3)C2=CC=C(OCC(O)=O)C=C2)C(OC)=C1

IUPAC: 2-{4-[(2,4-dimethoxyphenyl)({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]phenoxy}acetic acid

InChI: InChI=1/C32H29NO7/c1-37-22-15-16-27(29(17-22)38-2)31(20-11-13-21(14-12-20)39-19-30(34)35)33-32(36)40-18-28-25-9-5-3-7-23(25)24-8-4-6-10-26(24)28/h3-17,28,31H,18-19H2,1-2H3,(H,33,36)(H,34,35)

Composition: C (71.23%), H (5.42%), N (2.60%), O (20.76%)

Molar Mass: 539.584

Atom Count: 69

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 1
Exact Mass 539.194402278
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey UPMGJEMWPQOACJ-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 148.37
Topological Polar Surface Area 103.32
Polarizability 58.89
Ring Count 5
Rotatable Bond Count 11

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