ethyl 3-azanyl-5-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-3-methyl-5-oxidanylidene-pentanoate hydrochloride

Systemtic Name: ethyl 3-azanyl-5-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-3-methyl-5-oxidanylidene-pentanoate hydrochloride Openeye Name: ethyl 3-amino-5-(2-benzoyl-4-chloro-anilino)-3-methyl-5-oxo-pentanoate hydrochloride CAS Name: 3-amino-5-(2-benzoyl-4-chloroanilino)-3-methyl-5-oxopentanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-amino-5-(2-benzoyl-4-chloroanilino)-3-methyl-5-oxopentanoate hydrochloride Traditional Name: 3-amino-5-(2-benzoyl-4-chloro-anilino)-5-keto-3-methyl-valeric acid ethyl ester hydrochloride Formula: C21H24Cl2N2O4 MolecularWeight: 439.33226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4.ClH/c1-3-28-19(26)13-21(2,23)12-18(25)24-17-10-9-15(22)11-16(17)20(27)14-7-5-4-6-8-14;/h4-11H,3,12-13,23H2,1-2H3,(H,24,25);1H