methyl 3-[[2-(azepan-1-ylcarbonyl)phenyl]carbamoyl]benzoate

Systemtic Name: methyl 3-[[2-(azepan-1-ylcarbonyl)phenyl]carbamoyl]benzoate Openeye Name: methyl 3-[[2-(azepane-1-carbonyl)phenyl]carbamoyl]benzoate CAS Name: 3-[[2-[1-azepanyl(oxo)methyl]anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(azepane-1-carbonyl)phenyl]carbamoyl]benzoate Traditional Name: 3-[[2-(azepane-1-carbonyl)phenyl]carbamoyl]benzoic acid methyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3

InChI

InChI=1S/C22H24N2O4/c1-28-22(27)17-10-8-9-16(15-17)20(25)23-19-12-5-4-11-18(19)21(26)24-13-6-2-3-7-14-24/h4-5,8-12,15H,2-3,6-7,13-14H2,1H3,(H,23,25)