[2-[bis(phenylmethyl)amino]-3-phenyl-propyl] 4-[(4-tert-butylphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: [2-[bis(phenylmethyl)amino]-3-phenyl-propyl] 4-[(4-tert-butylphenyl)methyl]piperazine-1-carboxylate Openeye Name: [2-(dibenzylamino)-3-phenyl-propyl] 4-[(4-tert-butylphenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(4-tert-butylphenyl)methyl]-1-piperazinecarboxylic acid [2-[bis(phenylmethyl)amino]-3-phenylpropyl] ester IUPAC Name: [2-(dibenzylamino)-3-phenylpropyl] 4-[(4-tert-butylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-(4-tert-butylbenzyl)piperazine-1-carboxylic acid [2-(dibenzylamino)-3-phenyl-propyl] ester Formula: C39H47N3O2 MolecularWeight: 589.80938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)OCC(CC3=CC=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)OCC(CC3=CC=CC=C3)N(CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C39H47N3O2/c1-39(2,3)36-21-19-35(20-22-36)28-40-23-25-41(26-24-40)38(43)44-31-37(27-32-13-7-4-8-14-32)42(29-33-15-9-5-10-16-33)30-34-17-11-6-12-18-34/h4-22,37H,23-31H2,1-3H3