(phenylmethyl) 3-(3-chloranyl-2-oxidanylidene-propyl)-5-methoxy-indole-1-carboxylate

Systemtic Name: (phenylmethyl) 3-(3-chloranyl-2-oxidanylidene-propyl)-5-methoxy-indole-1-carboxylate Openeye Name: benzyl 3-(3-chloro-2-oxo-propyl)-5-methoxy-indole-1-carboxylate CAS Name: 3-(3-chloro-2-oxopropyl)-5-methoxy-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-chloro-2-oxopropyl)-5-methoxyindole-1-carboxylate Traditional Name: 3-(3-chloro-2-keto-propyl)-5-methoxy-indole-1-carboxylic acid benzyl ester Formula: C20H18ClNO4 MolecularWeight: 371.81422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CC(=O)CCl)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CC(=O)CCl)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H18ClNO4/c1-25-17-7-8-19-18(10-17)15(9-16(23)11-21)12-22(19)20(24)26-13-14-5-3-2-4-6-14/h2-8,10,12H,9,11,13H2,1H3