methyl 2-methyl-5-oxidanyl-1-[2-(2,4,6-trimethylphenoxy)ethyl]indole-3-carboxylate

Systemtic Name: methyl 2-methyl-5-oxidanyl-1-[2-(2,4,6-trimethylphenoxy)ethyl]indole-3-carboxylate Openeye Name: methyl 5-hydroxy-2-methyl-1-[2-(2,4,6-trimethylphenoxy)ethyl]indole-3-carboxylate CAS Name: 5-hydroxy-2-methyl-1-[2-(2,4,6-trimethylphenoxy)ethyl]-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 5-hydroxy-2-methyl-1-[2-(2,4,6-trimethylphenoxy)ethyl]indole-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-1-[2-(2,4,6-trimethylphenoxy)ethyl]indole-3-carboxylic acid methyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCCN2C(=C(C3=C2C=CC(=C3)O)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCCN2C(=C(C3=C2C=CC(=C3)O)C(=O)OC)C)C

InChI

InChI=1S/C22H25NO4/c1-13-10-14(2)21(15(3)11-13)27-9-8-23-16(4)20(22(25)26-5)18-12-17(24)6-7-19(18)23/h6-7,10-12,24H,8-9H2,1-5H3