(5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) (2S)-2-azanyl-3-methyl-butanoate hydrochloride

Systemtic Name: (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) (2S)-2-azanyl-3-methyl-butanoate hydrochloride Openeye Name: (5-acetoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) (2S)-2-amino-3-methyl-butanoate hydrochloride CAS Name: (2S)-2-amino-3-methylbutanoic acid (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h][1]benzopyran-6-yl) ester hydrochloride IUPAC Name: (5-acetyloxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) (2S)-2-amino-3-methylbutanoate hydrochloride Traditional Name: (2S)-2-amino-3-methyl-butyric acid (5-acetoxy-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-6-yl) ester hydrochloride Formula: C22H28ClNO5 MolecularWeight: 421.91442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=C(C2=C(C3=CC=CC=C31)OC(CC2)(C)C)OC(=O)C)N.Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OC1=C(C2=C(C3=CC=CC=C31)OC(CC2)(C)C)OC(=O)C)N.Cl

InChI

InChI=1S/C22H27NO5.ClH/c1-12(2)17(23)21(25)27-19-15-9-7-6-8-14(15)18-16(20(19)26-13(3)24)10-11-22(4,5)28-18;/h6-9,12,17H,10-11,23H2,1-5H3;1H/t17-;/m0./s1