methyl (2S)-1-[[2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]carbonyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[[2-(4-ethylpiperazin-1-yl)-1,3-dihydroinden-2-yl]carbonyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[2-(4-ethylpiperazin-1-yl)indane-2-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[2-(4-ethyl-1-piperazinyl)-1,3-dihydroinden-2-yl]-oxomethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[2-(4-ethylpiperazin-1-yl)-1,3-dihydroindene-2-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-(4-ethylpiperazino)indane-2-carbonyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2(CC3=CC=CC=C3C2)C(=O)N4CCCC4C(=O)OC

Isomeric SMILES

CCN1CCN(CC1)C2(CC3=CC=CC=C3C2)C(=O)N4CCC[C@H]4C(=O)OC

InChI

InChI=1S/C22H31N3O3/c1-3-23-11-13-24(14-12-23)22(15-17-7-4-5-8-18(17)16-22)21(27)25-10-6-9-19(25)20(26)28-2/h4-5,7-8,19H,3,6,9-16H2,1-2H3/t19-/m0/s1