[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (3R)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxylate

Systemtic Name: [2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (3R)-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxylate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl] (3R)-3-methyl-1-oxo-isochromane-3-carboxylate CAS Name: (3R)-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (3R)-3-methyl-1-oxo-4H-isochromene-3-carboxylate Traditional Name: (3R)-1-keto-3-methyl-isochroman-3-carboxylic acid [2-keto-2-(p-anisylamino)ethyl] ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=O)O1)C(=O)OCC(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@@]1(CC2=CC=CC=C2C(=O)O1)C(=O)OCC(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21NO6/c1-21(11-15-5-3-4-6-17(15)19(24)28-21)20(25)27-13-18(23)22-12-14-7-9-16(26-2)10-8-14/h3-10H,11-13H2,1-2H3,(H,22,23)/t21-/m1/s1