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

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[(2-methoxyphenyl)carbonylamino]propanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 3-[(2-methoxybenzoyl)amino]propanoate CAS Name: 3-[[(2-methoxyphenyl)-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-[(2-methoxybenzoyl)amino]propanoate Traditional Name: 3-(o-anisoylamino)propionic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCNC(=O)C3=CC=CC=C3OC)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCNC(=O)C3=CC=CC=C3OC)O

InChI

InChI=1S/C22H21NO7/c1-13-17(24)8-7-15-14(11-20(26)30-21(13)15)12-29-19(25)9-10-23-22(27)16-5-3-4-6-18(16)28-2/h3-8,11,24H,9-10,12H2,1-2H3,(H,23,27)