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

Systemtic Name: tert-butyl 4-[3-methyl-2-[(3-methylphenyl)carbonylamino]butanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]piperazine-1-carboxylate CAS Name: 4-[3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]-1-oxobutyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-methyl-2-(m-toluoylamino)butanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H33N3O4 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H33N3O4/c1-15(2)18(23-19(26)17-9-7-8-16(3)14-17)20(27)24-10-12-25(13-11-24)21(28)29-22(4,5)6/h7-9,14-15,18H,10-13H2,1-6H3,(H,23,26)