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

Systemtic Name: 4-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: 4-(4-isopentyloxy-3-methoxy-phenyl)-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: 4-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: 4-[3-methoxy-4-(3-methylbutoxy)phenyl]-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: 4-(4-isoamoxy-3-methoxy-phenyl)-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C=C(C2=NC3=CC=CC=C3C=C2)C(=O)C(=O)O)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C=C(C2=NC3=CC=CC=C3C=C2)C(=O)C(=O)O)OC

InChI

InChI=1S/C25H25NO5/c1-16(2)12-13-31-22-11-8-17(15-23(22)30-3)14-19(24(27)25(28)29)21-10-9-18-6-4-5-7-20(18)26-21/h4-11,14-16H,12-13H2,1-3H3,(H,28,29)