ethyl 2,4-dimethyl-1-(2-methylpropyl)-5-oxidanyl-benzo[g]indole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-1-(2-methylpropyl)-5-oxidanyl-benzo[g]indole-3-carboxylate Openeye Name: ethyl 5-hydroxy-1-isobutyl-2,4-dimethyl-benzo[g]indole-3-carboxylate CAS Name: 5-hydroxy-2,4-dimethyl-1-(2-methylpropyl)-3-benzo[g]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2,4-dimethyl-1-(2-methylpropyl)benzo[g]indole-3-carboxylate Traditional Name: 5-hydroxy-1-isobutyl-2,4-dimethyl-benz[g]indole-3-carboxylic acid ethyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3/c1-6-25-21(24)18-14(5)22(11-12(2)3)19-15-9-7-8-10-16(15)20(23)13(4)17(18)19/h7-10,12,23H,6,11H2,1-5H3