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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C21H22ClNO6 MolecularWeight: 419.85548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO6/c1-26-18-5-3-13(7-19(18)27-2)10-23-20(24)12-29-21(25)15-8-14-9-16(22)4-6-17(14)28-11-15/h3-7,9,15H,8,10-12H2,1-2H3,(H,23,24)/t15-/m0/s1