(phenylmethyl) 5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-methyl-1H-indole-3-carboxylate

Systemtic Name: (phenylmethyl) 5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-methyl-1H-indole-3-carboxylate Openeye Name: benzyl 5-[(E)-3-methoxy-3-oxo-prop-1-enyl]-2-methyl-1H-indole-3-carboxylate CAS Name: 5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2-methyl-1H-indole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2-methyl-1H-indole-3-carboxylate Traditional Name: 5-[(E)-3-keto-3-methoxy-prop-1-enyl]-2-methyl-1H-indole-3-carboxylic acid benzyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)C=CC(=O)OC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)/C=C/C(=O)OC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H19NO4/c1-14-20(21(24)26-13-16-6-4-3-5-7-16)17-12-15(8-10-18(17)22-14)9-11-19(23)25-2/h3-12,22H,13H2,1-2H3/b11-9+