ethyl 2-methyl-6-(3-methylphenyl)-5-oxidanyl-1-prop-2-enyl-indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-6-(3-methylphenyl)-5-oxidanyl-1-prop-2-enyl-indole-3-carboxylate Openeye Name: ethyl 1-allyl-5-hydroxy-2-methyl-6-(m-tolyl)indole-3-carboxylate CAS Name: 5-hydroxy-2-methyl-6-(3-methylphenyl)-1-prop-2-enyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-6-(3-methylphenyl)-1-prop-2-enylindole-3-carboxylate Traditional Name: 1-allyl-5-hydroxy-2-methyl-6-(m-tolyl)indole-3-carboxylic acid ethyl ester Formula: C22H23NO3 MolecularWeight: 349.42292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)C3=CC(=CC=C3)C)CC=C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)C3=CC(=CC=C3)C)CC=C)C

InChI

InChI=1S/C22H23NO3/c1-5-10-23-15(4)21(22(25)26-6-2)18-13-20(24)17(12-19(18)23)16-9-7-8-14(3)11-16/h5,7-9,11-13,24H,1,6,10H2,2-4H3