ethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-2-[(1-propylimidazol-4-yl)methyl]hexanoate

Systemtic Name: ethyl 6-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]-2-[(1-propylimidazol-4-yl)methyl]hexanoate Openeye Name: ethyl 6-[benzyl(tert-butoxycarbonyl)amino]-2-[(1-propylimidazol-4-yl)methyl]hexanoate CAS Name: 6-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]-2-[(1-propyl-4-imidazolyl)methyl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-[(1-propylimidazol-4-yl)methyl]hexanoate Traditional Name: 6-[benzyl(tert-butoxycarbonyl)amino]-2-[(1-propylimidazol-4-yl)methyl]hexanoic acid ethyl ester Formula: C27H41N3O4 MolecularWeight: 471.63214

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(N=C1)CC(CCCCN(CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)OCC

Isomeric SMILES

CCCN1C=C(N=C1)CC(CCCCN(CC2=CC=CC=C2)C(=O)OC(C)(C)C)C(=O)OCC

InChI

InChI=1S/C27H41N3O4/c1-6-16-29-20-24(28-21-29)18-23(25(31)33-7-2)15-11-12-17-30(26(32)34-27(3,4)5)19-22-13-9-8-10-14-22/h8-10,13-14,20-21,23H,6-7,11-12,15-19H2,1-5H3