tert-butyl 3-butan-2-yl-4-[2-(methylamino)-3-phenyl-propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-butan-2-yl-4-[2-(methylamino)-3-phenyl-propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(methylamino)-3-phenyl-propanoyl]-3-sec-butyl-piperazine-1-carboxylate CAS Name: 3-butan-2-yl-4-[2-(methylamino)-1-oxo-3-phenylpropyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-butan-2-yl-4-[2-(methylamino)-3-phenylpropanoyl]piperazine-1-carboxylate Traditional Name: 4-[2-(methylamino)-3-phenyl-propanoyl]-3-sec-butyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C23H37N3O3 MolecularWeight: 403.55818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1CN(CCN1C(=O)C(CC2=CC=CC=C2)NC)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C1CN(CCN1C(=O)C(CC2=CC=CC=C2)NC)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H37N3O3/c1-7-17(2)20-16-25(22(28)29-23(3,4)5)13-14-26(20)21(27)19(24-6)15-18-11-9-8-10-12-18/h8-12,17,19-20,24H,7,13-16H2,1-6H3