methyl (2S)-2-[(2-azanylquinolin-3-yl)methylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[(2-azanylquinolin-3-yl)methylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[(2-amino-3-quinolyl)methylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[(2-amino-3-quinolinyl)methylamino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-aminoquinolin-3-yl)methylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(2-amino-3-quinolyl)methylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NCC3=CC4=CC=CC=C4N=C3N

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NCC3=CC4=CC=CC=C4N=C3N

InChI

InChI=1S/C22H22N4O2/c1-28-22(27)20(11-15-12-24-19-9-5-3-7-17(15)19)25-13-16-10-14-6-2-4-8-18(14)26-21(16)23/h2-10,12,20,24-25H,11,13H2,1H3,(H2,23,26)/t20-/m0/s1