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

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6/c1-14-5-3-4-6-17(14)22(26)23-10-9-20(24)28-13-15-11-21(25)29-19-12-16(27-2)7-8-18(15)19/h3-8,11-12H,9-10,13H2,1-2H3,(H,23,26)