ethyl 1-[2-(3,4-dimethylphenyl)ethyl]-2-methyl-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 1-[2-(3,4-dimethylphenyl)ethyl]-2-methyl-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 1-[2-(3,4-dimethylphenyl)ethyl]-5-hydroxy-2-methyl-indole-3-carboxylate CAS Name: 1-[2-(3,4-dimethylphenyl)ethyl]-5-hydroxy-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,4-dimethylphenyl)ethyl]-5-hydroxy-2-methylindole-3-carboxylate Traditional Name: 1-[2-(3,4-dimethylphenyl)ethyl]-5-hydroxy-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CCC3=CC(=C(C=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)O)CCC3=CC(=C(C=C3)C)C)C

InChI

InChI=1S/C22H25NO3/c1-5-26-22(25)21-16(4)23(20-9-8-18(24)13-19(20)21)11-10-17-7-6-14(2)15(3)12-17/h6-9,12-13,24H,5,10-11H2,1-4H3