(Z)-4-(3-methoxy-4-phenylmethoxy-phenyl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: (Z)-4-(3-methoxy-4-phenylmethoxy-phenyl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: (Z)-4-(4-benzyloxy-3-methoxy-phenyl)-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: (Z)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: (Z)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: (Z)-4-(4-benzoxy-3-methoxy-phenyl)-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C27H21NO5 MolecularWeight: 439.45934

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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=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(/C2=NC3=CC=CC=C3C=C2)\C(=O)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H21NO5/c1-32-25-16-19(11-14-24(25)33-17-18-7-3-2-4-8-18)15-21(26(29)27(30)31)23-13-12-20-9-5-6-10-22(20)28-23/h2-16H,17H2,1H3,(H,30,31)/b21-15-