methyl (2S)-2-[(4-chloranylquinolin-3-yl)carbonylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[(4-chloranylquinolin-3-yl)carbonylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[(4-chloroquinoline-3-carbonyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[[(4-chloro-3-quinolinyl)-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-chloroquinoline-3-carbonyl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[(4-chloroquinoline-3-carbonyl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=C(C4=CC=CC=C4N=C3)Cl

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=C(C4=CC=CC=C4N=C3)Cl

InChI

InChI=1S/C22H18ClN3O3/c1-29-22(28)19(10-13-11-24-17-8-4-2-6-14(13)17)26-21(27)16-12-25-18-9-5-3-7-15(18)20(16)23/h2-9,11-12,19,24H,10H2,1H3,(H,26,27)/t19-/m0/s1