methyl 2-(1-methylindol-3-yl)-3-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl 2-(1-methylindol-3-yl)-3-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl 3-(benzyloxycarbonylamino)-2-(1-methylindol-3-yl)propanoate CAS Name: 2-(1-methyl-3-indolyl)-3-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl 2-(1-methylindol-3-yl)-3-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(benzyloxycarbonylamino)-2-(1-methylindol-3-yl)propionic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(CNC(=O)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(CNC(=O)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H22N2O4/c1-23-13-18(16-10-6-7-11-19(16)23)17(20(24)26-2)12-22-21(25)27-14-15-8-4-3-5-9-15/h3-11,13,17H,12,14H2,1-2H3,(H,22,25)