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

Systemtic Name: methyl 4-[[4-(3-phenylpropanoyl)-1,4-diazepan-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(3-phenylpropanoyl)-1,4-diazepan-1-yl]methyl]benzoate CAS Name: 4-[[4-(1-oxo-3-phenylpropyl)-1,4-diazepan-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-phenylpropanoyl)-1,4-diazepan-1-yl]methyl]benzoate Traditional Name: 4-[(4-hydrocinnamoyl-1,4-diazepan-1-yl)methyl]benzoic acid methyl ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O3/c1-28-23(27)21-11-8-20(9-12-21)18-24-14-5-15-25(17-16-24)22(26)13-10-19-6-3-2-4-7-19/h2-4,6-9,11-12H,5,10,13-18H2,1H3