tert-butyl 3-[cyclopropyl-(phenylmethyl)carbamoyl]-4-(4-methoxyphenyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-[cyclopropyl-(phenylmethyl)carbamoyl]-4-(4-methoxyphenyl)piperazine-1-carboxylate Openeye Name: tert-butyl 3-[benzyl(cyclopropyl)carbamoyl]-4-(4-methoxyphenyl)piperazine-1-carboxylate CAS Name: 3-[[cyclopropyl-(phenylmethyl)amino]-oxomethyl]-4-(4-methoxyphenyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[benzyl(cyclopropyl)carbamoyl]-4-(4-methoxyphenyl)piperazine-1-carboxylate Traditional Name: 3-[benzyl(cyclopropyl)carbamoyl]-4-(4-methoxyphenyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C27H35N3O4 MolecularWeight: 465.5845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)N(CC2=CC=CC=C2)C3CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)N(CC2=CC=CC=C2)C3CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H35N3O4/c1-27(2,3)34-26(32)28-16-17-29(21-12-14-23(33-4)15-13-21)24(19-28)25(31)30(22-10-11-22)18-20-8-6-5-7-9-20/h5-9,12-15,22,24H,10-11,16-19H2,1-4H3