4-[[[2-[(4-methoxyphenyl)methylcarbamoyl]pyridin-4-yl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[2-[(4-methoxyphenyl)methylcarbamoyl]pyridin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[2-[[(4-methoxyphenyl)methylamino]-oxomethyl]-4-pyridinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(p-anisylcarbamoyl)isonicotinoyl]amino]methyl]benzoic acid Formula: C23H21N3O5 MolecularWeight: 419.42994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=NC=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=NC=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H21N3O5/c1-31-19-8-4-16(5-9-19)14-26-22(28)20-12-18(10-11-24-20)21(27)25-13-15-2-6-17(7-3-15)23(29)30/h2-12H,13-14H2,1H3,(H,25,27)(H,26,28)(H,29,30)