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

Systemtic Name: methyl 4-[[4-(azepan-1-ylcarbonyl)phenyl]carbamoyl]benzoate Openeye Name: methyl 4-[[4-(azepane-1-carbonyl)phenyl]carbamoyl]benzoate CAS Name: 4-[[4-[1-azepanyl(oxo)methyl]anilino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(azepane-1-carbonyl)phenyl]carbamoyl]benzoate Traditional Name: 4-[[4-(azepane-1-carbonyl)phenyl]carbamoyl]benzoic acid methyl ester Formula: C22H24N2O4 MolecularWeight: 380.43696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H24N2O4/c1-28-22(27)18-8-6-16(7-9-18)20(25)23-19-12-10-17(11-13-19)21(26)24-14-4-2-3-5-15-24/h6-13H,2-5,14-15H2,1H3,(H,23,25)