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

Systemtic Name: methyl 2-(4-chloranyl-1H-indol-3-yl)-3-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 3-(benzyloxycarbonylamino)-2-(4-chloro-1H-indol-3-yl)propanoate CAS Name: 2-(4-chloro-1H-indol-3-yl)-3-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 2-(4-chloro-1H-indol-3-yl)-3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)-2-(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(CNC(=O)OCC1=CC=CC=C1)C2=CNC3=C2C(=CC=C3)Cl

Isomeric SMILES

COC(=O)C(CNC(=O)OCC1=CC=CC=C1)C2=CNC3=C2C(=CC=C3)Cl

InChI

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