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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C23H23NO5/c1-4-16-8-9-19-18(12-21(25)29-20(19)11-16)13-28-23(27)15(3)24-22(26)17-7-5-6-14(2)10-17/h5-12,15H,4,13H2,1-3H3,(H,24,26)/t15-/m0/s1