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

Systemtic Name: (2-methyl-4-oxidanylidene-3-phenoxy-chromen-7-yl) 2-azanyl-3-(4-phenylmethoxyphenyl)propanoate chloride Openeye Name: (2-methyl-4-oxo-3-phenoxy-chromen-7-yl) 2-amino-3-(4-benzyloxyphenyl)propanoate chloride CAS Name: 2-amino-3-(4-phenylmethoxyphenyl)propanoic 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-(4-phenylmethoxyphenyl)propanoate chloride Traditional Name: 2-amino-3-(4-benzoxyphenyl)propionic acid (4-keto-2-methyl-3-phenoxy-chromen-7-yl) ester chloride Formula: C32H27ClNO6- MolecularWeight: 557.01288

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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=C(C=C3)OCC4=CC=CC=C4)N)OC5=CC=CC=C5.[Cl-]

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CC3=CC=C(C=C3)OCC4=CC=CC=C4)N)OC5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C32H27NO6.ClH/c1-21-31(38-25-10-6-3-7-11-25)30(34)27-17-16-26(19-29(27)37-21)39-32(35)28(33)18-22-12-14-24(15-13-22)36-20-23-8-4-2-5-9-23;/h2-17,19,28H,18,20,33H2,1H3;1H/p-1