tert-butyl 2-[(4-methyl-3-oxidanyl-phenyl)methyl]-4-(phenylmethyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-[(4-methyl-3-oxidanyl-phenyl)methyl]-4-(phenylmethyl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-benzyl-2-[(3-hydroxy-4-methyl-phenyl)methyl]piperazine-1-carboxylate CAS Name: 2-[(3-hydroxy-4-methylphenyl)methyl]-4-(phenylmethyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzyl-2-[(3-hydroxy-4-methylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-benzyl-2-(3-hydroxy-4-methyl-benzyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C24H32N2O3 MolecularWeight: 396.52248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CC2CN(CCN2C(=O)OC(C)(C)C)CC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=C(C=C1)CC2CN(CCN2C(=O)OC(C)(C)C)CC3=CC=CC=C3)O

InChI

InChI=1S/C24H32N2O3/c1-18-10-11-20(15-22(18)27)14-21-17-25(16-19-8-6-5-7-9-19)12-13-26(21)23(28)29-24(2,3)4/h5-11,15,21,27H,12-14,16-17H2,1-4H3