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

Systemtic Name: methyl 4-[[7-oxidanylidene-4-(3-phenylpropanoyl)-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[7-oxo-4-(3-phenylpropanoyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[7-oxo-4-(1-oxo-3-phenylpropyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[7-oxo-4-(3-phenylpropanoyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[(4-hydrocinnamoyl-7-keto-1,4-diazepan-1-yl)methyl]benzoic acid methyl ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CCC2=O)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CCC2=O)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4/c1-29-23(28)20-10-7-19(8-11-20)17-25-16-15-24(14-13-22(25)27)21(26)12-9-18-5-3-2-4-6-18/h2-8,10-11H,9,12-17H2,1H3