tert-butyl 4-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(3-methylanilino)-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-(3-methylanilino)-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(3-methylanilino)-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-keto-2-(m-toluidino)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H27N3O3 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H27N3O3/c1-14-6-5-7-15(12-14)19-16(22)13-20-8-10-21(11-9-20)17(23)24-18(2,3)4/h5-7,12H,8-11,13H2,1-4H3,(H,19,22)