4-(4-butoxyphenyl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid

Systemtic Name: 4-(4-butoxyphenyl)-2-oxidanylidene-3-quinolin-2-yl-but-3-enoic acid Openeye Name: 4-(4-butoxyphenyl)-2-oxo-3-(2-quinolyl)but-3-enoic acid CAS Name: 4-(4-butoxyphenyl)-2-oxo-3-(2-quinolinyl)-3-butenoic acid IUPAC Name: 4-(4-butoxyphenyl)-2-oxo-3-quinolin-2-ylbut-3-enoic acid Traditional Name: 4-(4-butoxyphenyl)-2-keto-3-(2-quinolyl)but-3-enoic acid Formula: C23H21NO4 MolecularWeight: 375.41714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3C=C2)C(=O)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3C=C2)C(=O)C(=O)O

InChI

InChI=1S/C23H21NO4/c1-2-3-14-28-18-11-8-16(9-12-18)15-19(22(25)23(26)27)21-13-10-17-6-4-5-7-20(17)24-21/h4-13,15H,2-3,14H2,1H3,(H,26,27)