tert-butyl 4-[4-(3,5-dimethylphenyl)-2-methanoyl-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3,5-dimethylphenyl)-2-methanoyl-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3,5-dimethylphenyl)-2-formyl-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-(3,5-dimethylphenyl)-2-formylphenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3,5-dimethylphenyl)-2-formylphenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(3,5-dimethylphenyl)-2-formyl-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C24H30N2O3 MolecularWeight: 394.5066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C=O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C=O)C

InChI

InChI=1S/C24H30N2O3/c1-17-12-18(2)14-20(13-17)19-6-7-22(21(15-19)16-27)25-8-10-26(11-9-25)23(28)29-24(3,4)5/h6-7,12-16H,8-11H2,1-5H3