propan-2-yl 3-(2-ethylbutanoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: propan-2-yl 3-(2-ethylbutanoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 3-(2-ethylbutanoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 3-(2-ethyl-1-oxobutyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(2-ethylbutanoyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(2-ethylbutanoyl)-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C24H32N2O3 MolecularWeight: 396.52248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CC(C2=C(C(=C1)C(=O)OC(C)C)NC3=CC=CC=C32)(C)C

Isomeric SMILES

CCC(CC)C(=O)N1CC(C2=C(C(=C1)C(=O)OC(C)C)NC3=CC=CC=C32)(C)C

InChI

InChI=1S/C24H32N2O3/c1-7-16(8-2)22(27)26-13-18(23(28)29-15(3)4)21-20(24(5,6)14-26)17-11-9-10-12-19(17)25-21/h9-13,15-16,25H,7-8,14H2,1-6H3