4-[[3-[2-ethenyl-7-(4-phenylbutoxymethyl)quinolin-3-yl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[2-ethenyl-7-(4-phenylbutoxymethyl)quinolin-3-yl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 2,2-diethyl-4-oxo-4-[3-[7-(4-phenylbutoxymethyl)-2-vinyl-3-quinolyl]anilino]butanoic acid CAS Name: 4-[3-[2-ethenyl-7-(4-phenylbutoxymethyl)-3-quinolinyl]anilino]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-[3-[2-ethenyl-7-(4-phenylbutoxymethyl)quinolin-3-yl]anilino]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 2,2-diethyl-4-keto-4-[3-[7-(4-phenylbutoxymethyl)-2-vinyl-3-quinolyl]anilino]butyric acid Formula: C36H40N2O4 MolecularWeight: 564.7138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=CC=CC(=C1)C2=C(N=C3C=C(C=CC3=C2)COCCCCC4=CC=CC=C4)C=C)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=CC=CC(=C1)C2=C(N=C3C=C(C=CC3=C2)COCCCCC4=CC=CC=C4)C=C)C(=O)O

InChI

InChI=1S/C36H40N2O4/c1-4-32-31(28-16-12-17-30(22-28)37-34(39)24-36(5-2,6-3)35(40)41)23-29-19-18-27(21-33(29)38-32)25-42-20-11-10-15-26-13-8-7-9-14-26/h4,7-9,12-14,16-19,21-23H,1,5-6,10-11,15,20,24-25H2,2-3H3,(H,37,39)(H,40,41)