[1-[2-cyclohexyl-2-(2,2-dimethylpropoxycarbonylamino)ethanoyl]-5-methoxycarbonyl-pyrrolidin-3-yl] 1,3-dihydroisoindole-2-carboxylate

Systemtic Name: [1-[2-cyclohexyl-2-(2,2-dimethylpropoxycarbonylamino)ethanoyl]-5-methoxycarbonyl-pyrrolidin-3-yl] 1,3-dihydroisoindole-2-carboxylate Openeye Name: [1-[2-cyclohexyl-2-(2,2-dimethylpropoxycarbonylamino)acetyl]-5-methoxycarbonyl-pyrrolidin-3-yl] isoindoline-2-carboxylate CAS Name: 1,3-dihydroisoindole-2-carboxylic acid [1-[2-cyclohexyl-2-[[2,2-dimethylpropoxy(oxo)methyl]amino]-1-oxoethyl]-5-methoxycarbonyl-3-pyrrolidinyl] ester IUPAC Name: [1-[2-cyclohexyl-2-(2,2-dimethylpropoxycarbonylamino)acetyl]-5-methoxycarbonylpyrrolidin-3-yl] 1,3-dihydroisoindole-2-carboxylate Traditional Name: isoindoline-2-carboxylic acid [5-carbomethoxy-1-[2-cyclohexyl-2-(neopentyloxycarbonylamino)acetyl]pyrrolidin-3-yl] ester Formula: C29H41N3O7 MolecularWeight: 543.65174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)OC)OC(=O)N3CC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(C)COC(=O)NC(C1CCCCC1)C(=O)N2CC(CC2C(=O)OC)OC(=O)N3CC4=CC=CC=C4C3

InChI

InChI=1S/C29H41N3O7/c1-29(2,3)18-38-27(35)30-24(19-10-6-5-7-11-19)25(33)32-17-22(14-23(32)26(34)37-4)39-28(36)31-15-20-12-8-9-13-21(20)16-31/h8-9,12-13,19,22-24H,5-7,10-11,14-18H2,1-4H3,(H,30,35)