(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-[(2-methylphenyl)carbonylamino]propanoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 3-[(2-methylphenyl)carbonylamino]propanoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]propanoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 3-[(2-methylbenzoyl)amino]propanoate Traditional Name: 3-(o-toluoylamino)propionic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)OCC2=CC(=O)OC3=CC(=C(C=C23)C(C)C)C

InChI

InChI=1S/C25H27NO5/c1-15(2)20-13-21-18(12-24(28)31-22(21)11-17(20)4)14-30-23(27)9-10-26-25(29)19-8-6-5-7-16(19)3/h5-8,11-13,15H,9-10,14H2,1-4H3,(H,26,29)