(6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 2-azanyl-3-phenyl-propanoate chloride

Systemtic Name: (6-ethyl-4-methyl-2-oxidanylidene-chromen-7-yl) 2-azanyl-3-phenyl-propanoate chloride Openeye Name: (6-ethyl-4-methyl-2-oxo-chromen-7-yl) 2-amino-3-phenyl-propanoate chloride CAS Name: 2-amino-3-phenylpropanoic acid (6-ethyl-4-methyl-2-oxo-1-benzopyran-7-yl) ester chloride IUPAC Name: (6-ethyl-4-methyl-2-oxochromen-7-yl) 2-amino-3-phenylpropanoate chloride Traditional Name: 2-amino-3-phenyl-propionic acid (6-ethyl-2-keto-4-methyl-chromen-7-yl) ester chloride Formula: C21H21ClNO4- MolecularWeight: 386.84874

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C(CC3=CC=CC=C3)N.[Cl-]

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C)OC(=O)C(CC3=CC=CC=C3)N.[Cl-]

InChI

InChI=1S/C21H21NO4.ClH/c1-3-15-11-16-13(2)9-20(23)25-19(16)12-18(15)26-21(24)17(22)10-14-7-5-4-6-8-14;/h4-9,11-12,17H,3,10,22H2,1-2H3;1H/p-1