(4-methyl-2-oxidanylidene-chromen-7-yl) 6-azanyl-2-(phenylmethoxycarbonylamino)hexanoate hydrochloride

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 6-azanyl-2-(phenylmethoxycarbonylamino)hexanoate hydrochloride Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 6-amino-2-(benzyloxycarbonylamino)hexanoate hydrochloride CAS Name: 6-amino-2-(phenylmethoxycarbonylamino)hexanoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester hydrochloride IUPAC Name: (4-methyl-2-oxochromen-7-yl) 6-amino-2-(phenylmethoxycarbonylamino)hexanoate hydrochloride Traditional Name: 6-amino-2-(benzyloxycarbonylamino)hexanoic acid (2-keto-4-methyl-chromen-7-yl) ester hydrochloride Formula: C24H27ClN2O6 MolecularWeight: 474.93398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(CCCCN)NC(=O)OCC3=CC=CC=C3.Cl

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C(CCCCN)NC(=O)OCC3=CC=CC=C3.Cl

InChI

InChI=1S/C24H26N2O6.ClH/c1-16-13-22(27)32-21-14-18(10-11-19(16)21)31-23(28)20(9-5-6-12-25)26-24(29)30-15-17-7-3-2-4-8-17;/h2-4,7-8,10-11,13-14,20H,5-6,9,12,15,25H2,1H3,(H,26,29);1H