methyl 2-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-(2-anilino-2-oxo-ethyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 2-[[4-(2-anilino-2-oxoethyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-anilino-2-oxoethyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 2-[[4-(2-anilino-2-keto-ethyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CN2CCCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1CN2CCCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-28-22(27)20-11-6-5-8-18(20)16-24-12-7-13-25(15-14-24)17-21(26)23-19-9-3-2-4-10-19/h2-6,8-11H,7,12-17H2,1H3,(H,23,26)