methyl 4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzoate

Systemtic Name: methyl 4-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]benzoate Openeye Name: methyl 4-(4-benzyl-1,4-diazepane-1-carbonyl)benzoate CAS Name: 4-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzyl-1,4-diazepane-1-carbonyl)benzoate Traditional Name: 4-(4-benzyl-1,4-diazepane-1-carbonyl)benzoic acid methyl ester Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3/c1-26-21(25)19-10-8-18(9-11-19)20(24)23-13-5-12-22(14-15-23)16-17-6-3-2-4-7-17/h2-4,6-11H,5,12-16H2,1H3