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

Systemtic Name: 2,2-diethyl-4-[[3-[(E)-2-[6-[4-(4-hexylphenyl)butoxymethyl]pyridin-2-yl]ethenyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 2,2-diethyl-4-[3-[(E)-2-[6-[4-(4-hexylphenyl)butoxymethyl]-2-pyridyl]vinyl]anilino]-4-oxo-butanoic acid CAS Name: 2,2-diethyl-4-[3-[(E)-2-[6-[4-(4-hexylphenyl)butoxymethyl]-2-pyridinyl]ethenyl]anilino]-4-oxobutanoic acid IUPAC Name: 2,2-diethyl-4-[3-[(E)-2-[6-[4-(4-hexylphenyl)butoxymethyl]pyridin-2-yl]ethenyl]anilino]-4-oxobutanoic acid Traditional Name: 2,2-diethyl-4-[3-[(E)-2-[6-[4-(4-hexylphenyl)butoxymethyl]-2-pyridyl]vinyl]anilino]-4-keto-butyric acid Formula: C38H50N2O4 MolecularWeight: 598.8146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)CCCCOCC2=CC=CC(=N2)C=CC3=CC(=CC=C3)NC(=O)CC(CC)(CC)C(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)CCCCOCC2=CC=CC(=N2)/C=C/C3=CC(=CC=C3)NC(=O)CC(CC)(CC)C(=O)O

InChI

InChI=1S/C38H50N2O4/c1-4-7-8-9-14-30-20-22-31(23-21-30)15-10-11-26-44-29-35-19-13-17-33(39-35)25-24-32-16-12-18-34(27-32)40-36(41)28-38(5-2,6-3)37(42)43/h12-13,16-25,27H,4-11,14-15,26,28-29H2,1-3H3,(H,40,41)(H,42,43)/b25-24+