(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2S)-3-methyl-2-(phenylcarbamoylamino)butyric acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C24H26N2O5 MolecularWeight: 422.47364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C(C(C)C)NC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)[C@H](C(C)C)NC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C24H26N2O5/c1-14(2)21(26-24(29)25-18-8-6-5-7-9-18)23(28)30-13-17-12-20(27)31-22-16(4)15(3)10-11-19(17)22/h5-12,14,21H,13H2,1-4H3,(H2,25,26,29)/t21-/m0/s1