[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C21H30ClNO5 MolecularWeight: 411.9196

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2CCCCCC2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2CCCCCC2)OCC

InChI

InChI=1S/C21H30ClNO5/c1-3-11-27-20-17(22)12-15(13-18(20)26-4-2)21(25)28-14-19(24)23-16-9-7-5-6-8-10-16/h12-13,16H,3-11,14H2,1-2H3,(H,23,24)