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

Systemtic Name: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-keto-2-(m-anisylamino)ethyl] ester Formula: C22H26ClNO6 MolecularWeight: 435.89794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClNO6/c1-4-9-29-21-18(23)11-16(12-19(21)28-5-2)22(26)30-14-20(25)24-13-15-7-6-8-17(10-15)27-3/h6-8,10-12H,4-5,9,13-14H2,1-3H3,(H,24,25)