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

Systemtic Name: methyl 2-methyl-6-(3-methylphenyl)-5-oxidanyl-1-prop-2-enyl-indole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=C(C=C3C(=C2)N(C(=C3C(=O)OC)C)CC=C)O

Isomeric SMILES

CC1=CC=CC(=C1)C2=C(C=C3C(=C2)N(C(=C3C(=O)OC)C)CC=C)O

InChI

InChI=1S/C21H21NO3/c1-5-9-22-14(3)20(21(24)25-4)17-12-19(23)16(11-18(17)22)15-8-6-7-13(2)10-15/h5-8,10-12,23H,1,9H2,2-4H3