methyl 4-[[2-(azepan-1-ylcarbonyl)phenyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(azepan-1-ylcarbonyl)phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamoyl]benzoate CAS Name: 4-[[2-[1-azepanyl(oxo)methyl]anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamoyl]benzoate Traditional Name: 4-[[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=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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