4-[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: 4-[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: 4-[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: 4-[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: 4-[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: 4-[2-(4-carbomethoxybenzyl)oxyphenyl]-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C28H21NO6 MolecularWeight: 467.46944

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C3=NC4=CC=CC=C4C=C3)C(=O)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=C(C3=NC4=CC=CC=C4C=C3)C(=O)C(=O)O

InChI

InChI=1S/C28H21NO6/c1-34-28(33)20-12-10-18(11-13-20)17-35-25-9-5-3-7-21(25)16-22(26(30)27(31)32)24-15-14-19-6-2-4-8-23(19)29-24/h2-16H,17H2,1H3,(H,31,32)