methyl 1-[(4-tert-butylphenyl)methyl]-2-methyl-5-oxidanyl-indole-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)C(C)(C)C)C=CC(=C2)O)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)C(C)(C)C)C=CC(=C2)O)C(=O)OC

InChI

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