ditert-butyl 2-[3-(4-methylimidazol-1-yl)propyl-(phenylmethyl)carbamoyl]piperazine-1,4-dicarboxylate

Systemtic Name: ditert-butyl 2-[3-(4-methylimidazol-1-yl)propyl-(phenylmethyl)carbamoyl]piperazine-1,4-dicarboxylate Openeye Name: ditert-butyl 2-[benzyl-[3-(4-methylimidazol-1-yl)propyl]carbamoyl]piperazine-1,4-dicarboxylate CAS Name: 2-[[3-(4-methyl-1-imidazolyl)propyl-(phenylmethyl)amino]-oxomethyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[benzyl-[3-(4-methylimidazol-1-yl)propyl]carbamoyl]piperazine-1,4-dicarboxylate Traditional Name: 2-[benzyl-[3-(4-methylimidazol-1-yl)propyl]carbamoyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester Formula: C29H43N5O5 MolecularWeight: 541.68222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)CCCN(CC2=CC=CC=C2)C(=O)C3CN(CCN3C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CN(C=N1)CCCN(CC2=CC=CC=C2)C(=O)C3CN(CCN3C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H43N5O5/c1-22-18-31(21-30-22)14-11-15-32(19-23-12-9-8-10-13-23)25(35)24-20-33(26(36)38-28(2,3)4)16-17-34(24)27(37)39-29(5,6)7/h8-10,12-13,18,21,24H,11,14-17,19-20H2,1-7H3