4-[[[3-[3-(3-pyridin-3-ylphenyl)prop-1-ynyl]phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[3-[3-(3-pyridin-3-ylphenyl)prop-1-ynyl]phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-[3-[3-(3-pyridyl)phenyl]prop-1-ynyl]benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[3-[3-[3-(3-pyridinyl)phenyl]prop-1-ynyl]phenyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-[3-(3-pyridin-3-ylphenyl)prop-1-ynyl]benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-[3-[3-(3-pyridyl)phenyl]prop-1-ynyl]benzoyl]amino]methyl]benzoic acid Formula: C29H22N2O3 MolecularWeight: 446.49658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)C#CCC3=CC=CC(=C3)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)C#CCC3=CC=CC(=C3)C4=CN=CC=C4

InChI

InChI=1S/C29H22N2O3/c32-28(31-19-23-12-14-24(15-13-23)29(33)34)26-10-3-8-22(18-26)6-1-5-21-7-2-9-25(17-21)27-11-4-16-30-20-27/h2-4,7-18,20H,5,19H2,(H,31,32)(H,33,34)