[2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (3R)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (3R)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl] (3R)-6-chlorochromane-3-carboxylate CAS Name: (3R)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3R)-6-chlorochroman-3-carboxylic acid [2-keto-2-(p-anisylamino)ethyl] ester Formula: C20H20ClNO5 MolecularWeight: 389.8295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)COC(=O)[C@@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C20H20ClNO5/c1-25-17-5-2-13(3-6-17)10-22-19(23)12-27-20(24)15-8-14-9-16(21)4-7-18(14)26-11-15/h2-7,9,15H,8,10-12H2,1H3,(H,22,23)/t15-/m1/s1