[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] 3-chloranyl-4,5-dimethoxy-benzoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] 3-chloro-4,5-dimethoxy-benzoate CAS Name: 3-chloro-4,5-dimethoxybenzoic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate Traditional Name: 3-chloro-4,5-dimethoxy-benzoic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C20H20ClNO6 MolecularWeight: 405.8289

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2CCOC3=CC=CC=C23)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)OCC(=O)NC2CCOC3=CC=CC=C23)Cl)OC

InChI

InChI=1S/C20H20ClNO6/c1-25-17-10-12(9-14(21)19(17)26-2)20(24)28-11-18(23)22-15-7-8-27-16-6-4-3-5-13(15)16/h3-6,9-10,15H,7-8,11H2,1-2H3,(H,22,23)