4-[[3-[2-ethenyl-6-[4-[4-(3-imidazol-1-ylpropoxy)phenyl]butoxymethyl]pyridin-3-yl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-[2-ethenyl-6-[4-[4-(3-imidazol-1-ylpropoxy)phenyl]butoxymethyl]pyridin-3-yl]phenyl]amino]-2,2-diethyl-4-oxidanylidene-butanoic acid Openeye Name: 2,2-diethyl-4-[3-[6-[4-[4-(3-imidazol-1-ylpropoxy)phenyl]butoxymethyl]-2-vinyl-3-pyridyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[3-[2-ethenyl-6-[4-[4-[3-(1-imidazolyl)propoxy]phenyl]butoxymethyl]-3-pyridinyl]anilino]-2,2-diethyl-4-oxobutanoic acid IUPAC Name: 4-[3-[2-ethenyl-6-[4-[4-(3-imidazol-1-ylpropoxy)phenyl]butoxymethyl]pyridin-3-yl]anilino]-2,2-diethyl-4-oxobutanoic acid Traditional Name: 2,2-diethyl-4-[3-[6-[4-[4-(3-imidazol-1-ylpropoxy)phenyl]butoxymethyl]-2-vinyl-3-pyridyl]anilino]-4-keto-butyric acid Formula: C38H46N4O5 MolecularWeight: 638.79564

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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)OCCCN4C=CN=C4)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)OCCCN4C=CN=C4)C=C)C(=O)O

InChI

InChI=1S/C38H46N4O5/c1-4-35-34(30-12-9-13-31(25-30)41-36(43)26-38(5-2,6-3)37(44)45)19-16-32(40-35)27-46-23-8-7-11-29-14-17-33(18-15-29)47-24-10-21-42-22-20-39-28-42/h4,9,12-20,22,25,28H,1,5-8,10-11,21,23-24,26-27H2,2-3H3,(H,41,43)(H,44,45)