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

Systemtic Name: 4-[[3-[2-ethenyl-6-[4-(4-prop-2-ynoxyphenyl)butoxymethyl]pyridin-3-yl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 2,2-diethyl-4-oxo-4-[3-[6-[4-(4-prop-2-ynoxyphenyl)butoxymethyl]-2-vinyl-3-pyridyl]anilino]butanoic acid CAS Name: 4-[3-[2-ethenyl-6-[4-(4-prop-2-ynoxyphenyl)butoxymethyl]-3-pyridinyl]anilino]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-[3-[2-ethenyl-6-[4-(4-prop-2-ynoxyphenyl)butoxymethyl]pyridin-3-yl]anilino]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 2,2-diethyl-4-keto-4-[3-[6-[4-(4-propargyloxyphenyl)butoxymethyl]-2-vinyl-3-pyridyl]anilino]butyric acid Formula: C35H40N2O5 MolecularWeight: 568.7025

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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)OCC#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)OCC#C)C=C)C(=O)O

InChI

InChI=1S/C35H40N2O5/c1-5-21-42-30-18-15-26(16-19-30)12-9-10-22-41-25-29-17-20-31(32(6-2)36-29)27-13-11-14-28(23-27)37-33(38)24-35(7-3,8-4)34(39)40/h1,6,11,13-20,23H,2,7-10,12,21-22,24-25H2,3-4H3,(H,37,38)(H,39,40)