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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate CAS Name: 3-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate Traditional Name: 3-(m-toluoylamino)propionic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3C)O

InChI

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