methyl 2-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)-3-(phenylmethyl)indole-1-carboxylate

Systemtic Name: methyl 2-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)-3-(phenylmethyl)indole-1-carboxylate Openeye Name: methyl 3-benzyl-2-(1-cyano-2-methoxy-2-oxo-ethyl)indole-1-carboxylate CAS Name: 2-(1-cyano-2-methoxy-2-oxoethyl)-3-(phenylmethyl)-1-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-benzyl-2-(1-cyano-2-methoxy-2-oxoethyl)indole-1-carboxylate Traditional Name: 3-benzyl-2-(1-cyano-2-keto-2-methoxy-ethyl)indole-1-carboxylic acid methyl ester Formula: C21H18N2O4 MolecularWeight: 362.37862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=C(C2=CC=CC=C2N1C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C(C#N)C1=C(C2=CC=CC=C2N1C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O4/c1-26-20(24)17(13-22)19-16(12-14-8-4-3-5-9-14)15-10-6-7-11-18(15)23(19)21(25)27-2/h3-11,17H,12H2,1-2H3