tert-butyl (2S)-4-(2,3-dimethylphenyl)carbonyl-2-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl (2S)-4-(2,3-dimethylphenyl)carbonyl-2-(phenylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl (2S)-2-benzyl-4-(2,3-dimethylbenzoyl)piperazine-1-carboxylate CAS Name: (2S)-4-[(2,3-dimethylphenyl)-oxomethyl]-2-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-benzyl-4-(2,3-dimethylbenzoyl)piperazine-1-carboxylate Traditional Name: (2S)-2-benzyl-4-(2,3-dimethylbenzoyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)N2CCN(C(C2)CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)N2CCN([C@H](C2)CC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H32N2O3/c1-18-10-9-13-22(19(18)2)23(28)26-14-15-27(24(29)30-25(3,4)5)21(17-26)16-20-11-7-6-8-12-20/h6-13,21H,14-17H2,1-5H3/t21-/m0/s1