[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H33NO6 MolecularWeight: 407.50052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)CCC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C22H33NO6/c1-15(22(25)23-17-9-7-5-6-8-10-17)29-20(24)12-11-16-13-18(26-2)21(28-4)19(14-16)27-3/h13-15,17H,5-12H2,1-4H3,(H,23,25)