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

Systemtic Name: ditert-butyl 2-[3-(2-ethylimidazol-1-yl)propyl-(phenylmethyl)carbamoyl]piperazine-1,4-dicarboxylate Openeye Name: ditert-butyl 2-[benzyl-[3-(2-ethylimidazol-1-yl)propyl]carbamoyl]piperazine-1,4-dicarboxylate CAS Name: 2-[[3-(2-ethyl-1-imidazolyl)propyl-(phenylmethyl)amino]-oxomethyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[benzyl-[3-(2-ethylimidazol-1-yl)propyl]carbamoyl]piperazine-1,4-dicarboxylate Traditional Name: 2-[benzyl-[3-(2-ethylimidazol-1-yl)propyl]carbamoyl]piperazine-1,4-dicarboxylic acid ditert-butyl ester Formula: C30H45N5O5 MolecularWeight: 555.7088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CN1CCCN(CC2=CC=CC=C2)C(=O)C3CN(CCN3C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCC1=NC=CN1CCCN(CC2=CC=CC=C2)C(=O)C3CN(CCN3C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H45N5O5/c1-8-25-31-15-18-32(25)16-12-17-33(21-23-13-10-9-11-14-23)26(36)24-22-34(27(37)39-29(2,3)4)19-20-35(24)28(38)40-30(5,6)7/h9-11,13-15,18,24H,8,12,16-17,19-22H2,1-7H3