ethyl 4-[[2-cyano-3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-cyano-3-[3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propoxy]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-2-cyano-anilino]-4-oxo-butanoate CAS Name: 4-[3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-cyanoanilino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]-2-cyanoanilino]-4-oxobutanoate Traditional Name: 4-[3-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propoxy]-2-cyano-anilino]-4-keto-butyric acid ethyl ester Formula: C27H32N2O7 MolecularWeight: 496.55218

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=CC(=C2C#N)NC(=O)CCC(=O)OCC

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=CC(=C2C#N)NC(=O)CCC(=O)OCC

InChI

InChI=1S/C27H32N2O7/c1-4-8-20-24(12-11-19(18(3)30)27(20)33)36-16-7-15-35-23-10-6-9-22(21(23)17-28)29-25(31)13-14-26(32)34-5-2/h6,9-12,33H,4-5,7-8,13-16H2,1-3H3,(H,29,31)