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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=C(C=CN=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C#CC1=C(C=CN=C1)C(=O)NCC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C24H20N2O3/c1-17(19-5-3-2-4-6-19)7-10-21-16-25-14-13-22(21)23(27)26-15-18-8-11-20(12-9-18)24(28)29/h2-6,8-9,11-14,16-17H,15H2,1H3,(H,26,27)(H,28,29)