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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C)NC(=O)C3=CC(=CC=C3)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C)NC(=O)C3=CC(=CC=C3)C)C

InChI

InChI=1S/C23H23NO5/c1-13-6-5-7-17(10-13)22(26)24-16(4)23(27)28-12-18-11-20(25)29-21-15(3)14(2)8-9-19(18)21/h5-11,16H,12H2,1-4H3,(H,24,26)/t16-/m0/s1