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

Systemtic Name: 4-[[[3-(3-methoxy-3-phenyl-prop-1-ynyl)pyridin-4-yl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-(3-methoxy-3-phenyl-prop-1-ynyl)pyridine-4-carbonyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3-(3-methoxy-3-phenylprop-1-ynyl)-4-pyridinyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(3-methoxy-3-phenylprop-1-ynyl)pyridine-4-carbonyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-(3-methoxy-3-phenyl-prop-1-ynyl)isonicotinoyl]amino]methyl]benzoic acid Formula: C24H20N2O4 MolecularWeight: 400.4266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O4/c1-30-22(18-5-3-2-4-6-18)12-11-20-16-25-14-13-21(20)23(27)26-15-17-7-9-19(10-8-17)24(28)29/h2-10,13-14,16,22H,15H2,1H3,(H,26,27)(H,28,29)