[2-(4-chlorophenyl)-2-(phenylmethyl)-1,4-diazepan-1-yl] 2-ethoxybenzoate

Systemtic Name: [2-(4-chlorophenyl)-2-(phenylmethyl)-1,4-diazepan-1-yl] 2-ethoxybenzoate Openeye Name: [2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl] 2-ethoxybenzoate CAS Name: 2-ethoxybenzoic acid [2-(4-chlorophenyl)-2-(phenylmethyl)-1,4-diazepan-1-yl] ester IUPAC Name: [2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl] 2-ethoxybenzoate Traditional Name: 2-ethoxybenzoic acid [2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl] ester Formula: C27H29ClN2O3 MolecularWeight: 464.98376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)ON2CCCNCC2(CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)ON2CCCNCC2(CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H29ClN2O3/c1-2-32-25-12-7-6-11-24(25)26(31)33-30-18-8-17-29-20-27(30,19-21-9-4-3-5-10-21)22-13-15-23(28)16-14-22/h3-7,9-16,29H,2,8,17-20H2,1H3