[(3R,5S)-1-[(2S)-2-azanyl-2-cyclohexyl-ethanoyl]-5-methoxycarbonyl-pyrrolidin-3-yl] 4-ethenyl-1,3-dihydroisoindole-2-carboxylate

Systemtic Name: [(3R,5S)-1-[(2S)-2-azanyl-2-cyclohexyl-ethanoyl]-5-methoxycarbonyl-pyrrolidin-3-yl] 4-ethenyl-1,3-dihydroisoindole-2-carboxylate Openeye Name: [(3R,5S)-1-[(2S)-2-amino-2-cyclohexyl-acetyl]-5-methoxycarbonyl-pyrrolidin-3-yl] 4-vinylisoindoline-2-carboxylate CAS Name: 4-ethenyl-1,3-dihydroisoindole-2-carboxylic acid [(3R,5S)-1-[(2S)-2-amino-2-cyclohexyl-1-oxoethyl]-5-methoxycarbonyl-3-pyrrolidinyl] ester IUPAC Name: [(3R,5S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-5-methoxycarbonylpyrrolidin-3-yl] 4-ethenyl-1,3-dihydroisoindole-2-carboxylate Traditional Name: 4-vinylisoindoline-2-carboxylic acid [(3R,5S)-1-[(2S)-2-amino-2-cyclohexyl-acetyl]-5-carbomethoxy-pyrrolidin-3-yl] ester Formula: C25H33N3O5 MolecularWeight: 455.54662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1C(=O)C(C2CCCCC2)N)OC(=O)N3CC4=CC=CC(=C4C3)C=C

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C2CCCCC2)N)OC(=O)N3CC4=CC=CC(=C4C3)C=C

InChI

InChI=1S/C25H33N3O5/c1-3-16-10-7-11-18-13-27(15-20(16)18)25(31)33-19-12-21(24(30)32-2)28(14-19)23(29)22(26)17-8-5-4-6-9-17/h3,7,10-11,17,19,21-22H,1,4-6,8-9,12-15,26H2,2H3/t19-,21+,22+/m1/s1