[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl] 2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid [2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-valeric acid [2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl] ester Formula: C27H35N3O6 MolecularWeight: 497.5833

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C)C(C(=O)OCC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O6/c1-4-20(2)25(28-27(33)36-18-21-8-6-5-7-9-21)26(32)35-19-24(31)30-16-14-29(15-17-30)22-10-12-23(34-3)13-11-22/h5-13,20,25H,4,14-19H2,1-3H3,(H,28,33)