[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 5,7-dimethoxy-1H-indole-2-carboxylate CAS Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 5,7-dimethoxy-1H-indole-2-carboxylate Traditional Name: 5,7-dimethoxy-1H-indole-2-carboxylic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC3=CC(=CC(=C3N2)OC)OC

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC3=CC(=CC(=C3N2)OC)OC

InChI

InChI=1S/C21H28N2O5/c1-13(20(24)22-15-8-6-4-5-7-9-15)28-21(25)17-11-14-10-16(26-2)12-18(27-3)19(14)23-17/h10-13,15,23H,4-9H2,1-3H3,(H,22,24)