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

Systemtic Name: ethyl 4-[[(2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoyl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]piperidine-1-carboxylate CAS Name: 4-[[(2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]-1-oxobutyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[(2S)-3-methyl-2-(o-toluoylamino)butanoyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)[C@H](C(C)C)NC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C21H31N3O4/c1-5-28-21(27)24-12-10-16(11-13-24)22-20(26)18(14(2)3)23-19(25)17-9-7-6-8-15(17)4/h6-9,14,16,18H,5,10-13H2,1-4H3,(H,22,26)(H,23,25)/t18-/m0/s1