[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-chromen-7-yl] 2-azanyl-3-methyl-butanoate hydrochloride

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-chromen-7-yl] 2-azanyl-3-methyl-butanoate hydrochloride Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-chromen-7-yl] 2-amino-3-methyl-butanoate hydrochloride CAS Name: 2-amino-3-methylbutanoic acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1-benzopyran-7-yl] ester hydrochloride IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxochromen-7-yl] 2-amino-3-methylbutanoate hydrochloride Traditional Name: 2-amino-3-methyl-butyric acid [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-chromen-7-yl] ester hydrochloride Formula: C22H22ClNO6 MolecularWeight: 431.86618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)N.Cl

Isomeric SMILES

CC(C)C(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)N.Cl

InChI

InChI=1S/C22H21NO6.ClH/c1-12(2)20(23)22(25)29-14-4-5-15-18(10-14)28-11-16(21(15)24)13-3-6-17-19(9-13)27-8-7-26-17;/h3-6,9-12,20H,7-8,23H2,1-2H3;1H