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

Systemtic Name: 2-methoxyethyl 1-[(4-tert-butylphenyl)methyl]-2-methyl-5-oxidanyl-benzo[g]indole-3-carboxylate Openeye Name: 2-methoxyethyl 1-[(4-tert-butylphenyl)methyl]-5-hydroxy-2-methyl-benzo[g]indole-3-carboxylate CAS Name: 1-[(4-tert-butylphenyl)methyl]-5-hydroxy-2-methyl-3-benzo[g]indolecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 1-[(4-tert-butylphenyl)methyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate Traditional Name: 1-(4-tert-butylbenzyl)-5-hydroxy-2-methyl-benz[g]indole-3-carboxylic acid 2-methoxyethyl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4C(=C2)O)C(=O)OCCOC

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4C(=C2)O)C(=O)OCCOC

InChI

InChI=1S/C28H31NO4/c1-18-25(27(31)33-15-14-32-5)23-16-24(30)21-8-6-7-9-22(21)26(23)29(18)17-19-10-12-20(13-11-19)28(2,3)4/h6-13,16,30H,14-15,17H2,1-5H3