[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] (3R)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] (3R)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(butylcarbamoylamino)-2-oxo-ethyl] (3R)-6-chlorochromane-3-carboxylate CAS Name: (3R)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] (3R)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3R)-6-chlorochroman-3-carboxylic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H21ClN2O5 MolecularWeight: 368.81204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)C1CC2=C(C=CC(=C2)Cl)OC1

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)[C@@H]1CC2=C(C=CC(=C2)Cl)OC1

InChI

InChI=1S/C17H21ClN2O5/c1-2-3-6-19-17(23)20-15(21)10-25-16(22)12-7-11-8-13(18)4-5-14(11)24-9-12/h4-5,8,12H,2-3,6-7,9-10H2,1H3,(H2,19,20,21,23)/t12-/m1/s1