(phenylmethyl) 2-[4-(2-chloranyl-3,4-dimethoxy-phenyl)carbonyl-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-(2-chloranyl-3,4-dimethoxy-phenyl)carbonyl-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-(2-chloro-3,4-dimethoxy-benzoyl)-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[(2-chloro-3,4-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-(2-chloro-3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-(2-chloro-3,4-dimethoxy-benzoyl)-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C23H27ClN2O5 MolecularWeight: 446.92388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(=O)N2CCCN(CC2)CC(=O)OCC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(=O)N2CCCN(CC2)CC(=O)OCC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C23H27ClN2O5/c1-29-19-10-9-18(21(24)22(19)30-2)23(28)26-12-6-11-25(13-14-26)15-20(27)31-16-17-7-4-3-5-8-17/h3-5,7-10H,6,11-16H2,1-2H3