(3-oxidanylidenebenzo[f]chromen-1-yl)methyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)OCC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C25H21NO5/c1-15-6-5-8-18(12-15)24(28)26-16(2)25(29)30-14-19-13-22(27)31-21-11-10-17-7-3-4-9-20(17)23(19)21/h3-13,16H,14H2,1-2H3,(H,26,28)/t16-/m0/s1