methyl 4-[[4-[(4-methoxy-3-methyl-phenyl)methyl]-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-[(4-methoxy-3-methyl-phenyl)methyl]-7-oxidanylidene-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-[(4-methoxy-3-methyl-phenyl)methyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-[(4-methoxy-3-methylphenyl)methyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(4-methoxy-3-methylphenyl)methyl]-7-oxo-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[[7-keto-4-(4-methoxy-3-methyl-benzyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CCC(=O)N(CC2)CC3=CC=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CCC(=O)N(CC2)CC3=CC=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C23H28N2O4/c1-17-14-19(6-9-21(17)28-2)15-24-11-10-22(26)25(13-12-24)16-18-4-7-20(8-5-18)23(27)29-3/h4-9,14H,10-13,15-16H2,1-3H3