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

Systemtic Name: (Z)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: (Z)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxy-phenyl]-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: (Z)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: (Z)-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: (Z)-4-[4-(2-chlorobenzyl)oxy-3-methoxy-phenyl]-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C27H20ClNO5 MolecularWeight: 473.9044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C2=NC3=CC=CC=C3C=C2)C(=O)C(=O)O)OCC4=CC=CC=C4Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(/C2=NC3=CC=CC=C3C=C2)\C(=O)C(=O)O)OCC4=CC=CC=C4Cl

InChI

InChI=1S/C27H20ClNO5/c1-33-25-15-17(10-13-24(25)34-16-19-7-2-4-8-21(19)28)14-20(26(30)27(31)32)23-12-11-18-6-3-5-9-22(18)29-23/h2-15H,16H2,1H3,(H,31,32)/b20-14-