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methyl 2-{4-[({[4-(2-methoxy-2-oxoethyl)phenyl]methyl}amino)methyl]phenyl}acetate hydrochloride

methyl 2-{4-[({[4-(2-methoxy-2-oxoethyl)phenyl]methyl}amino)methyl]phenyl}acetate hydrochloride

CAS: 1666113-02-5

Formula: C20H24ClNO4

SMILES: Cl.COC(=O)CC1=CC=C(CNCC2=CC=C(CC(=O)OC)C=C2)C=C1

IUPAC: methyl 2-{4-[({[4-(2-methoxy-2-oxoethyl)phenyl]methyl}amino)methyl]phenyl}acetate hydrochloride

InChI: InChI=1S/C20H23NO4.ClH/c1-24-19(22)11-15-3-7-17(8-4-15)13-21-14-18-9-5-16(6-10-18)12-20(23)25-2;/h3-10,21H,11-14H2,1-2H3;1H

Composition: C (63.57%), H (6.40%), Cl (9.38%), N (3.71%), O (16.94%)

Molar Mass: 377.87

Atom Count: 50

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 377.139386
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UXWZVKZAHZTZLX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.07
Topological Polar Surface Area 64.63
Polarizability 37.7
Ring Count 2
Rotatable Bond Count 10

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