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

Systemtic Name: (2-methyl-4-oxidanylidene-3-phenyl-chromen-7-yl) 3-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: (2-methyl-4-oxo-3-phenyl-chromen-7-yl) 3-[(3-methylbenzoyl)amino]propanoate CAS Name: 3-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid (2-methyl-4-oxo-3-phenyl-1-benzopyran-7-yl) ester IUPAC Name: (2-methyl-4-oxo-3-phenylchromen-7-yl) 3-[(3-methylbenzoyl)amino]propanoate Traditional Name: 3-(m-toluoylamino)propionic acid (4-keto-2-methyl-3-phenyl-chromen-7-yl) ester Formula: C27H23NO5 MolecularWeight: 441.47522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCC(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO5/c1-17-7-6-10-20(15-17)27(31)28-14-13-24(29)33-21-11-12-22-23(16-21)32-18(2)25(26(22)30)19-8-4-3-5-9-19/h3-12,15-16H,13-14H2,1-2H3,(H,28,31)