[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2,3-dimethyl-1H-indole-5-carboxylate

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2,3-dimethyl-1H-indole-5-carboxylate Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2,3-dimethyl-1H-indole-5-carboxylate CAS Name: 2,3-dimethyl-1H-indole-5-carboxylic acid [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2,3-dimethyl-1H-indole-5-carboxylate Traditional Name: 2,3-dimethyl-1H-indole-5-carboxylic acid [(1S)-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=C(NC2=C1C=C(C=C2)C(=O)OC(C)C(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)C(=O)O[C@@H](C)C(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H26N2O3/c1-13-14(2)21-18-9-8-16(12-17(13)18)20(24)25-15(3)19(23)22-10-6-4-5-7-11-22/h8-9,12,15,21H,4-7,10-11H2,1-3H3/t15-/m0/s1