methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate

Systemtic Name: methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate Openeye Name: methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate CAS Name: 4-[oxo-[[4-(1-pyrrolyl)phenyl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate Traditional Name: 4-[(4-pyrrol-1-ylbenzyl)carbamoyl]benzoic acid methyl ester Formula: C20H18N2O3 MolecularWeight: 334.36852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NCC2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C20H18N2O3/c1-25-20(24)17-8-6-16(7-9-17)19(23)21-14-15-4-10-18(11-5-15)22-12-2-3-13-22/h2-13H,14H2,1H3,(H,21,23)