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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClNO4/c1-3-4-11(2)19-16(20)10-23-17(21)13-7-12-8-14(18)5-6-15(12)22-9-13/h5-6,8,11,13H,3-4,7,9-10H2,1-2H3,(H,19,20)/t11-,13-/m0/s1