(4-oxidanylidene-3-phenoxy-chromen-7-yl) 2-azanyl-4-methyl-pentanoate chloride

Systemtic Name: (4-oxidanylidene-3-phenoxy-chromen-7-yl) 2-azanyl-4-methyl-pentanoate chloride Openeye Name: (4-oxo-3-phenoxy-chromen-7-yl) 2-amino-4-methyl-pentanoate chloride CAS Name: 2-amino-4-methylpentanoic acid (4-oxo-3-phenoxy-1-benzopyran-7-yl) ester chloride IUPAC Name: (4-oxo-3-phenoxychromen-7-yl) 2-amino-4-methylpentanoate chloride Traditional Name: 2-amino-4-methyl-valeric acid (4-keto-3-phenoxy-chromen-7-yl) ester chloride Formula: C21H21ClNO5- MolecularWeight: 402.84814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3)N.[Cl-]

Isomeric SMILES

CC(C)CC(C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=CC=C3)N.[Cl-]

InChI

InChI=1S/C21H21NO5.ClH/c1-13(2)10-17(22)21(24)27-15-8-9-16-18(11-15)25-12-19(20(16)23)26-14-6-4-3-5-7-14;/h3-9,11-13,17H,10,22H2,1-2H3;1H/p-1