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

Systemtic Name: 4-[[[3-(3-methoxy-3-phenyl-prop-1-ynyl)phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[3-(3-methoxy-3-phenyl-prop-1-ynyl)benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[3-(3-methoxy-3-phenylprop-1-ynyl)phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(3-methoxy-3-phenylprop-1-ynyl)benzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[3-(3-methoxy-3-phenyl-prop-1-ynyl)benzoyl]amino]methyl]benzoic acid Formula: C25H21NO4 MolecularWeight: 399.43854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO4/c1-30-23(20-7-3-2-4-8-20)15-12-18-6-5-9-22(16-18)24(27)26-17-19-10-13-21(14-11-19)25(28)29/h2-11,13-14,16,23H,17H2,1H3,(H,26,27)(H,28,29)