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

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O4/c1-24(2)18-6-3-14(4-7-18)11-23-20(25)13-28-21(26)16-9-15-10-17(22)5-8-19(15)27-12-16/h3-8,10,16H,9,11-13H2,1-2H3,(H,23,25)/t16-/m0/s1