methyl 3-(4-chloranyl-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 3-(4-chloranyl-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-3-(4-chloro-1H-indol-3-yl)propanoate CAS Name: 3-(4-chloro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 3-(4-chloro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(4-chloro-1H-indol-3-yl)propionic acid methyl ester Formula: C20H19ClN2O4 MolecularWeight: 386.82886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=C1C(=CC=C2)Cl)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CC1=CNC2=C1C(=CC=C2)Cl)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H19ClN2O4/c1-26-19(24)17(23-20(25)27-12-13-6-3-2-4-7-13)10-14-11-22-16-9-5-8-15(21)18(14)16/h2-9,11,17,22H,10,12H2,1H3,(H,23,25)