3-[[[3-(3-phenylprop-1-ynyl)phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 3-[[[3-(3-phenylprop-1-ynyl)phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 3-[[[3-(3-phenylprop-1-ynyl)benzoyl]amino]methyl]benzoic acid CAS Name: 3-[[[oxo-[3-(3-phenylprop-1-ynyl)phenyl]methyl]amino]methyl]benzoic acid IUPAC Name: 3-[[[3-(3-phenylprop-1-ynyl)benzoyl]amino]methyl]benzoic acid Traditional Name: 3-[[[3-(3-phenylprop-1-ynyl)benzoyl]amino]methyl]benzoic acid Formula: C24H19NO3 MolecularWeight: 369.41256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=CC(=CC=C2)C(=O)NCC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=CC(=CC=C2)C(=O)NCC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C24H19NO3/c26-23(25-17-20-12-6-14-22(16-20)24(27)28)21-13-5-11-19(15-21)10-4-9-18-7-2-1-3-8-18/h1-3,5-8,11-16H,9,17H2,(H,25,26)(H,27,28)