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

Systemtic Name: (2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl) 2-azanyl-3-phenyl-propanoate chloride Openeye Name: (2-methyl-4-oxo-3-phenoxy-chromen-7-yl) 2-amino-3-phenyl-propanoate chloride CAS Name: 2-amino-3-phenylpropanoic acid (2-methyl-4-oxo-3-phenoxy-1-benzopyran-7-yl) ester chloride IUPAC Name: (2-methyl-4-oxo-3-phenoxychromen-7-yl) 2-amino-3-phenylpropanoate chloride Traditional Name: 2-amino-3-phenyl-propionic acid (4-keto-2-methyl-3-phenoxy-chromen-7-yl) ester chloride Formula: C25H21ClNO5- MolecularWeight: 450.89094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CC3=CC=CC=C3)N)OC4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CC3=CC=CC=C3)N)OC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C25H21NO5.ClH/c1-16-24(30-18-10-6-3-7-11-18)23(27)20-13-12-19(15-22(20)29-16)31-25(28)21(26)14-17-8-4-2-5-9-17;/h2-13,15,21H,14,26H2,1H3;1H/p-1