4-[[3-[6-[4-(3,5-dimethyl-4-oxidanyl-phenyl)butoxymethyl]-2-ethenyl-pyridin-3-yl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[6-[4-(3,5-dimethyl-4-oxidanyl-phenyl)butoxymethyl]-2-ethenyl-pyridin-3-yl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 2,2-diethyl-4-[3-[6-[4-(4-hydroxy-3,5-dimethyl-phenyl)butoxymethyl]-2-vinyl-3-pyridyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[3-[2-ethenyl-6-[4-(4-hydroxy-3,5-dimethylphenyl)butoxymethyl]-3-pyridinyl]anilino]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-[3-[2-ethenyl-6-[4-(4-hydroxy-3,5-dimethylphenyl)butoxymethyl]pyridin-3-yl]anilino]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 2,2-diethyl-4-[3-[6-[4-(4-hydroxy-3,5-dimethyl-phenyl)butoxymethyl]-2-vinyl-3-pyridyl]anilino]-4-keto-butyric acid Formula: C34H42N2O5 MolecularWeight: 558.70768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CC(=O)NC1=CC=CC(=C1)C2=C(N=C(C=C2)COCCCCC3=CC(=C(C(=C3)C)O)C)C=C)C(=O)O

Isomeric SMILES

CCC(CC)(CC(=O)NC1=CC=CC(=C1)C2=C(N=C(C=C2)COCCCCC3=CC(=C(C(=C3)C)O)C)C=C)C(=O)O

InChI

InChI=1S/C34H42N2O5/c1-6-30-29(26-13-11-14-27(20-26)36-31(37)21-34(7-2,8-3)33(39)40)16-15-28(35-30)22-41-17-10-9-12-25-18-23(4)32(38)24(5)19-25/h6,11,13-16,18-20,38H,1,7-10,12,17,21-22H2,2-5H3,(H,36,37)(H,39,40)