[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C23H28ClNO7 MolecularWeight: 465.92392

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC)OCC

InChI

InChI=1S/C23H28ClNO7/c1-5-9-31-22-17(24)11-16(12-20(22)30-6-2)23(27)32-14-21(26)25-13-15-7-8-18(28-3)19(10-15)29-4/h7-8,10-12H,5-6,9,13-14H2,1-4H3,(H,25,26)