ethyl 1-butyl-5-(2,2-dimethylpropanoyloxy)-2-methyl-benzo[g]indole-3-carboxylate

Systemtic Name: ethyl 1-butyl-5-(2,2-dimethylpropanoyloxy)-2-methyl-benzo[g]indole-3-carboxylate Openeye Name: ethyl 1-butyl-5-(2,2-dimethylpropanoyloxy)-2-methyl-benzo[g]indole-3-carboxylate CAS Name: 1-butyl-5-(2,2-dimethyl-1-oxopropoxy)-2-methyl-3-benzo[g]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-5-(2,2-dimethylpropanoyloxy)-2-methylbenzo[g]indole-3-carboxylate Traditional Name: 1-butyl-2-methyl-5-pivaloyloxy-benz[g]indole-3-carboxylic acid ethyl ester Formula: C25H31NO4 MolecularWeight: 409.51794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C3=CC=CC=C3C(=C2)OC(=O)C(C)(C)C)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C2=C1C3=CC=CC=C3C(=C2)OC(=O)C(C)(C)C)C(=O)OCC)C

InChI

InChI=1S/C25H31NO4/c1-7-9-14-26-16(3)21(23(27)29-8-2)19-15-20(30-24(28)25(4,5)6)17-12-10-11-13-18(17)22(19)26/h10-13,15H,7-9,14H2,1-6H3