[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(4-ethoxyphenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl] 4-(4-ethoxyphenyl)-4-oxo-butanoate CAS Name: 4-(4-ethoxyphenyl)-4-oxobutanoic acid [2-(5-chloro-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-p-phenetyl-butyric acid [2-(5-chloro-2-methyl-anilino)-2-keto-ethyl] ester Formula: C21H22ClNO5 MolecularWeight: 403.85608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C

InChI

InChI=1S/C21H22ClNO5/c1-3-27-17-8-5-15(6-9-17)19(24)10-11-21(26)28-13-20(25)23-18-12-16(22)7-4-14(18)2/h4-9,12H,3,10-11,13H2,1-2H3,(H,23,25)