(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C21H18BrNO5 MolecularWeight: 444.27532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C21H18BrNO5/c1-13-4-2-3-5-16(13)21(26)23-9-8-19(24)27-12-14-10-20(25)28-18-11-15(22)6-7-17(14)18/h2-7,10-11H,8-9,12H2,1H3,(H,23,26)