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

Systemtic Name: ethyl 4-[(2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-3-methyl-2-(o-toluoylamino)butanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(C(C)C)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C20H29N3O4/c1-5-27-20(26)23-12-10-22(11-13-23)19(25)17(14(2)3)21-18(24)16-9-7-6-8-15(16)4/h6-9,14,17H,5,10-13H2,1-4H3,(H,21,24)/t17-/m0/s1