ethyl 4-azanyl-6-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-4-methyl-6-oxidanylidene-hexanoate hydrochloride

Systemtic Name: ethyl 4-azanyl-6-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-4-methyl-6-oxidanylidene-hexanoate hydrochloride Openeye Name: ethyl 4-amino-6-(2-benzoyl-4-chloro-anilino)-4-methyl-6-oxo-hexanoate hydrochloride CAS Name: 4-amino-6-(2-benzoyl-4-chloroanilino)-4-methyl-6-oxohexanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-amino-6-(2-benzoyl-4-chloroanilino)-4-methyl-6-oxohexanoate hydrochloride Traditional Name: 4-amino-6-(2-benzoyl-4-chloro-anilino)-6-keto-4-methyl-hexanoic acid ethyl ester hydrochloride Formula: C22H26Cl2N2O4 MolecularWeight: 453.35884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C)(CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)N.Cl

Isomeric SMILES

CCOC(=O)CCC(C)(CC(=O)NC1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)N.Cl

InChI

InChI=1S/C22H25ClN2O4.ClH/c1-3-29-20(27)11-12-22(2,24)14-19(26)25-18-10-9-16(23)13-17(18)21(28)15-7-5-4-6-8-15;/h4-10,13H,3,11-12,14,24H2,1-2H3,(H,25,26);1H