tert-butyl 4-[3-[(2-methylphenyl)carbonylamino]propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(2-methylphenyl)carbonylamino]propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(2-methylbenzoyl)amino]propanoyl]piperazine-1-carboxylate CAS Name: 4-[3-[[(2-methylphenyl)-oxomethyl]amino]-1-oxopropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(2-methylbenzoyl)amino]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(o-toluoylamino)propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H29N3O4/c1-15-7-5-6-8-16(15)18(25)21-10-9-17(24)22-11-13-23(14-12-22)19(26)27-20(2,3)4/h5-8H,9-14H2,1-4H3,(H,21,25)