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

Systemtic Name: 4-[[[3-[3-(3-methylphenyl)prop-1-ynyl]phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-[3-(m-tolyl)prop-1-ynyl]benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3-[3-(3-methylphenyl)prop-1-ynyl]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-[3-(3-methylphenyl)prop-1-ynyl]benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-[3-(m-tolyl)prop-1-ynyl]benzoyl]amino]methyl]benzoic acid Formula: C25H21NO3 MolecularWeight: 383.43914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC#CC2=CC(=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CC#CC2=CC(=CC=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H21NO3/c1-18-5-2-6-19(15-18)7-3-8-20-9-4-10-23(16-20)24(27)26-17-21-11-13-22(14-12-21)25(28)29/h2,4-6,9-16H,7,17H2,1H3,(H,26,27)(H,28,29)