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

Systemtic Name: 4-[[[3-[3-(4-methylphenyl)prop-1-ynyl]pyridin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-[3-(p-tolyl)prop-1-ynyl]pyridine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3-[3-(4-methylphenyl)prop-1-ynyl]-4-pyridinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-[3-(4-methylphenyl)prop-1-ynyl]pyridine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-[3-(p-tolyl)prop-1-ynyl]isonicotinoyl]amino]methyl]benzoic acid Formula: C24H20N2O3 MolecularWeight: 384.4272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O3/c1-17-5-7-18(8-6-17)3-2-4-21-16-25-14-13-22(21)23(27)26-15-19-9-11-20(12-10-19)24(28)29/h5-14,16H,3,15H2,1H3,(H,26,27)(H,28,29)