4-[[3-[6-[4-(2-butoxyphenyl)butoxy]-2-ethenyl-pyridin-3-yl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[6-[4-(2-butoxyphenyl)butoxy]-2-ethenyl-pyridin-3-yl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[6-[4-(2-butoxyphenyl)butoxy]-2-vinyl-3-pyridyl]anilino]-2,2-diethyl-4-oxo-butanoic acid CAS Name: 4-[3-[6-[4-(2-butoxyphenyl)butoxy]-2-ethenyl-3-pyridinyl]anilino]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-[3-[6-[4-(2-butoxyphenyl)butoxy]-2-ethenylpyridin-3-yl]anilino]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 4-[3-[6-[4-(2-butoxyphenyl)butoxy]-2-vinyl-3-pyridyl]anilino]-2,2-diethyl-4-keto-butyric acid Formula: C35H44N2O5 MolecularWeight: 572.73426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1CCCCOC2=NC(=C(C=C2)C3=CC(=CC=C3)NC(=O)CC(CC)(CC)C(=O)O)C=C

Isomeric SMILES

CCCCOC1=CC=CC=C1CCCCOC2=NC(=C(C=C2)C3=CC(=CC=C3)NC(=O)CC(CC)(CC)C(=O)O)C=C

InChI

InChI=1S/C35H44N2O5/c1-5-9-22-41-31-19-11-10-15-26(31)16-12-13-23-42-33-21-20-29(30(6-2)37-33)27-17-14-18-28(24-27)36-32(38)25-35(7-3,8-4)34(39)40/h6,10-11,14-15,17-21,24H,2,5,7-9,12-13,16,22-23,25H2,1,3-4H3,(H,36,38)(H,39,40)