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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO5/c1-25-17-4-2-3-13(7-17)10-22-19(23)12-27-20(24)15-8-14-9-16(21)5-6-18(14)26-11-15/h2-7,9,15H,8,10-12H2,1H3,(H,22,23)/t15-/m0/s1