methyl (2S)-1-[(2-azanylbenzo[h]quinolin-3-yl)methyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[(2-azanylbenzo[h]quinolin-3-yl)methyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[(2-aminobenzo[h]quinolin-3-yl)methyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2-amino-3-benzo[h]quinolinyl)methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[(2-aminobenzo[h]quinolin-3-yl)methyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2-aminobenzo[h]quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1CC2=C(N=C3C(=C2)C=CC4=CC=CC=C43)N

Isomeric SMILES

COC(=O)[C@@H]1CCCN1CC2=C(N=C3C(=C2)C=CC4=CC=CC=C43)N

InChI

InChI=1S/C20H21N3O2/c1-25-20(24)17-7-4-10-23(17)12-15-11-14-9-8-13-5-2-3-6-16(13)18(14)22-19(15)21/h2-3,5-6,8-9,11,17H,4,7,10,12H2,1H3,(H2,21,22)/t17-/m0/s1