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

Systemtic Name: 4-[[3-[6-[5-(4-butylphenyl)pentoxy]-2-ethenyl-pyridin-3-yl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[6-[5-(4-butylphenyl)pentoxy]-2-vinyl-3-pyridyl]anilino]-2,2-diethyl-4-oxo-butanoic acid CAS Name: 4-[3-[6-[5-(4-butylphenyl)pentoxy]-2-ethenyl-3-pyridinyl]anilino]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-[3-[6-[5-(4-butylphenyl)pentoxy]-2-ethenylpyridin-3-yl]anilino]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 4-[3-[6-[5-(4-butylphenyl)pentoxy]-2-vinyl-3-pyridyl]anilino]-2,2-diethyl-4-keto-butyric acid Formula: C36H46N2O4 MolecularWeight: 570.76144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CCCCCOC2=NC(=C(C=C2)C3=CC(=CC=C3)NC(=O)CC(CC)(CC)C(=O)O)C=C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CCCCCOC2=NC(=C(C=C2)C3=CC(=CC=C3)NC(=O)CC(CC)(CC)C(=O)O)C=C

InChI

InChI=1S/C36H46N2O4/c1-5-9-14-27-18-20-28(21-19-27)15-11-10-12-24-42-34-23-22-31(32(6-2)38-34)29-16-13-17-30(25-29)37-33(39)26-36(7-3,8-4)35(40)41/h6,13,16-23,25H,2,5,7-12,14-15,24,26H2,1,3-4H3,(H,37,39)(H,40,41)