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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCNC(=O)COC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

COC1=CC=CC=C1OCCNC(=O)COC(=O)[C@H]2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C21H22ClNO6/c1-26-18-4-2-3-5-19(18)27-9-8-23-20(24)13-29-21(25)15-10-14-11-16(22)6-7-17(14)28-12-15/h2-7,11,15H,8-10,12-13H2,1H3,(H,23,24)/t15-/m0/s1