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

Systemtic Name: propan-2-yl 1,1-dimethyl-3-pentanoyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 1,1-dimethyl-3-pentanoyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 1,1-dimethyl-3-(1-oxopentyl)-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1,1-dimethyl-3-pentanoyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 1,1-dimethyl-3-valeryl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C23H30N2O3 MolecularWeight: 382.4959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3/c1-6-7-12-19(26)25-13-17(22(27)28-15(2)3)21-20(23(4,5)14-25)16-10-8-9-11-18(16)24-21/h8-11,13,15,24H,6-7,12,14H2,1-5H3