4-[[6-[3-(3-methoxyphenyl)prop-1-ynyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid

Systemtic Name: 4-[[6-[3-(3-methoxyphenyl)prop-1-ynyl]-4-oxidanylidene-1H-quinolin-3-yl]methyl]benzoic acid Openeye Name: 4-[[6-[3-(3-methoxyphenyl)prop-1-ynyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid CAS Name: 4-[[6-[3-(3-methoxyphenyl)prop-1-ynyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid IUPAC Name: 4-[[6-[3-(3-methoxyphenyl)prop-1-ynyl]-4-oxo-1H-quinolin-3-yl]methyl]benzoic acid Traditional Name: 4-[[4-keto-6-[3-(3-methoxyphenyl)prop-1-ynyl]-1H-quinolin-3-yl]methyl]benzoic acid Formula: C27H21NO4 MolecularWeight: 423.45994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC#CC2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)CC#CC2=CC3=C(C=C2)NC=C(C3=O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H21NO4/c1-32-23-7-3-6-18(15-23)4-2-5-19-10-13-25-24(16-19)26(29)22(17-28-25)14-20-8-11-21(12-9-20)27(30)31/h3,6-13,15-17H,4,14H2,1H3,(H,28,29)(H,30,31)