ethyl 4-[(2S)-2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-2-[(4-chlorobenzoyl)amino]-3-methyl-butanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-[(4-chlorobenzoyl)amino]-3-methyl-butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H26ClN3O4 MolecularWeight: 395.88044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](C(C)C)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H26ClN3O4/c1-4-27-19(26)23-11-9-22(10-12-23)18(25)16(13(2)3)21-17(24)14-5-7-15(20)8-6-14/h5-8,13,16H,4,9-12H2,1-3H3,(H,21,24)/t16-/m0/s1