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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C3=CC=CC=C32)O)CCOC4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C3=CC=CC=C32)O)CCOC4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C28H31NO4/c1-6-32-27(31)25-18(2)29(15-16-33-20-13-11-19(12-14-20)28(3,4)5)26-22-10-8-7-9-21(22)24(30)17-23(25)26/h7-14,17,30H,6,15-16H2,1-5H3