4-[[3-[2-ethenyl-7-[4-(4-ethylphenyl)butoxy]-4H-quinolin-1-yl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[2-ethenyl-7-[4-(4-ethylphenyl)butoxy]-4H-quinolin-1-yl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 2,2-diethyl-4-[3-[7-[4-(4-ethylphenyl)butoxy]-2-vinyl-4H-quinolin-1-yl]anilino]-4-oxo-butanoic acid CAS Name: 4-[3-[2-ethenyl-7-[4-(4-ethylphenyl)butoxy]-4H-quinolin-1-yl]anilino]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-[3-[2-ethenyl-7-[4-(4-ethylphenyl)butoxy]-4H-quinolin-1-yl]anilino]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 2,2-diethyl-4-[3-[7-[4-(4-ethylphenyl)butoxy]-2-vinyl-4H-quinolin-1-yl]anilino]-4-keto-butyric acid Formula: C37H44N2O4 MolecularWeight: 580.75626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCCCOC2=CC3=C(CC=C(N3C4=CC(=CC=C4)NC(=O)CC(CC)(CC)C(=O)O)C=C)C=C2

Isomeric SMILES

CCC1=CC=C(C=C1)CCCCOC2=CC3=C(CC=C(N3C4=CC(=CC=C4)NC(=O)CC(CC)(CC)C(=O)O)C=C)C=C2

InChI

InChI=1S/C37H44N2O4/c1-5-27-15-17-28(18-16-27)12-9-10-23-43-33-22-20-29-19-21-31(6-2)39(34(29)25-33)32-14-11-13-30(24-32)38-35(40)26-37(7-3,8-4)36(41)42/h6,11,13-18,20-22,24-25H,2,5,7-10,12,19,23,26H2,1,3-4H3,(H,38,40)(H,41,42)