[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)OC(C)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)OC(C)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H26N2O3/c1-13-10-14(2)16-12-18(21-17(16)11-13)20(24)25-15(3)19(23)22-8-6-4-5-7-9-22/h10-12,15,21H,4-9H2,1-3H3