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(3R)-2-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

(3R)-2-[(9H-fluoren-9-ylmethoxy)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

CAS: 130309-33-0

Formula: C25H21NO4

SMILES: OC(=O)[C@H]1CC2=C(CN1C(=O)OCC1C3=C(C=CC=C3)C3=C1C=CC=C3)C=CC=C2

IUPAC: (3R)-2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

InChI: InChI=1S/C25H21NO4/c27-24(28)23-13-16-7-1-2-8-17(16)14-26(23)25(29)30-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h1-12,22-23H,13-15H2,(H,27,28)/t23-/m0/s1

Composition: C (75.17%), H (5.30%), N (3.51%), O (16.02%)

Molar Mass: 399.446

Atom Count: 51

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 1
Exact Mass 399.14705816
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey LIRBCUNCXDZOOU-HSZRJFAPSA-N
Lipinski's Rule of Five 1
Molar Refractivity 112.65
Topological Polar Surface Area 66.84
Polarizability 44.71
Ring Count 5
Rotatable Bond Count 4

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