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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] (3S)-6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] (3S)-6-chlorochromane-3-carboxylate CAS Name: (3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: (3S)-6-chlorochroman-3-carboxylic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C17H22ClNO4 MolecularWeight: 339.81388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1CC2=C(C=CC(=C2)Cl)OC1

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClNO4/c1-11(2)5-6-19-16(20)10-23-17(21)13-7-12-8-14(18)3-4-15(12)22-9-13/h3-4,8,11,13H,5-7,9-10H2,1-2H3,(H,19,20)/t13-/m0/s1