[1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(2-butan-2-ylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(3,4-dimethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: [1-methyl-2-oxo-2-(2-sec-butylanilino)ethyl] 4-(3,4-dimethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(3,4-dimethoxyphenyl)-4-oxobutanoic acid [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-butan-2-ylanilino)-1-oxopropan-2-yl] 4-(3,4-dimethoxyphenyl)-4-oxobutanoate Traditional Name: 4-(3,4-dimethoxyphenyl)-4-keto-butyric acid [2-keto-1-methyl-2-(2-sec-butylanilino)ethyl] ester Formula: C25H31NO6 MolecularWeight: 441.51674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)CCC(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)CCC(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C25H31NO6/c1-6-16(2)19-9-7-8-10-20(19)26-25(29)17(3)32-24(28)14-12-21(27)18-11-13-22(30-4)23(15-18)31-5/h7-11,13,15-17H,6,12,14H2,1-5H3,(H,26,29)