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

Systemtic Name: propan-2-yl 1,1-dimethyl-3-propanoyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 1,1-dimethyl-3-propanoyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 1,1-dimethyl-3-(1-oxopropyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1,1-dimethyl-3-propanoyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 1,1-dimethyl-3-propionyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-6-17(24)23-11-15(20(25)26-13(2)3)19-18(21(4,5)12-23)14-9-7-8-10-16(14)22-19/h7-11,13,22H,6,12H2,1-5H3