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

Systemtic Name: ethyl 1,2-dimethyl-5-(3-methylbutanoyloxy)benzo[g]indole-3-carboxylate Openeye Name: ethyl 1,2-dimethyl-5-(3-methylbutanoyloxy)benzo[g]indole-3-carboxylate CAS Name: 1,2-dimethyl-5-(3-methyl-1-oxobutoxy)-3-benzo[g]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1,2-dimethyl-5-(3-methylbutanoyloxy)benzo[g]indole-3-carboxylate Traditional Name: 5-isovaleryloxy-1,2-dimethyl-benz[g]indole-3-carboxylic acid ethyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4/c1-6-26-22(25)20-14(4)23(5)21-16-10-8-7-9-15(16)18(12-17(20)21)27-19(24)11-13(2)3/h7-10,12-13H,6,11H2,1-5H3