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

Systemtic Name: [(3R,5S)-1-[(2S)-2-azanyl-2-cyclopentyl-ethanoyl]-5-methoxycarbonyl-pyrrolidin-3-yl] 4-ethenyl-1,3-dihydroisoindole-2-carboxylate Openeye Name: [(3R,5S)-1-[(2S)-2-amino-2-cyclopentyl-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-cyclopentyl-1-oxoethyl]-5-methoxycarbonyl-3-pyrrolidinyl] ester IUPAC Name: [(3R,5S)-1-[(2S)-2-amino-2-cyclopentylacetyl]-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-cyclopentyl-acetyl]-5-carbomethoxy-pyrrolidin-3-yl] ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1C(=O)C(C2CCCC2)N)OC(=O)N3CC4=CC=CC(=C4C3)C=C

Isomeric SMILES

COC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C2CCCC2)N)OC(=O)N3CC4=CC=CC(=C4C3)C=C

InChI

InChI=1S/C24H31N3O5/c1-3-15-9-6-10-17-12-26(14-19(15)17)24(30)32-18-11-20(23(29)31-2)27(13-18)22(28)21(25)16-7-4-5-8-16/h3,6,9-10,16,18,20-21H,1,4-5,7-8,11-14,25H2,2H3/t18-,20+,21+/m1/s1