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

Systemtic Name: 4-[4-(3-methylbutoxy)phenyl]-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: 4-(4-isopentyloxyphenyl)-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: 4-[4-(3-methylbutoxy)phenyl]-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: 4-[4-(3-methylbutoxy)phenyl]-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: 4-(4-isoamoxyphenyl)-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C24H23NO4 MolecularWeight: 389.44372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO4/c1-16(2)13-14-29-19-10-7-17(8-11-19)15-20(23(26)24(27)28)22-12-9-18-5-3-4-6-21(18)25-22/h3-12,15-16H,13-14H2,1-2H3,(H,27,28)