tert-butyl 2-[4-(2-methylphenyl)piperazin-1-yl]carbonyl-3-phenyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[4-(2-methylphenyl)piperazin-1-yl]carbonyl-3-phenyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[4-(o-tolyl)piperazine-1-carbonyl]-3-phenyl-pyrrolidine-1-carboxylate CAS Name: 2-[[4-(2-methylphenyl)-1-piperazinyl]-oxomethyl]-3-phenyl-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(2-methylphenyl)piperazine-1-carbonyl]-3-phenylpyrrolidine-1-carboxylate Traditional Name: 2-[4-(o-tolyl)piperazine-1-carbonyl]-3-phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H35N3O3 MolecularWeight: 449.5851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3C(CCN3C(=O)OC(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3C(CCN3C(=O)OC(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H35N3O3/c1-20-10-8-9-13-23(20)28-16-18-29(19-17-28)25(31)24-22(21-11-6-5-7-12-21)14-15-30(24)26(32)33-27(2,3)4/h5-13,22,24H,14-19H2,1-4H3