[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(3,5-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-(3,5-dimethylanilino)-2-keto-ethyl] ester Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)COC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2)C

InChI

InChI=1S/C20H20ClNO4/c1-12-5-13(2)7-17(6-12)22-19(23)11-26-20(24)15-8-14-9-16(21)3-4-18(14)25-10-15/h3-7,9,15H,8,10-11H2,1-2H3,(H,22,23)/t15-/m0/s1