[1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 5-chloranyl-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 5-chloro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-chloro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C20H20ClNO6 MolecularWeight: 405.8289

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2=CC3=C(C(=C2)Cl)OCCO3

InChI

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