(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C(C)NC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)[C@H](C)NC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H22N2O5/c1-13-9-18-16(11-20(25)29-19(18)10-14(13)2)12-28-21(26)15(3)23-22(27)24-17-7-5-4-6-8-17/h4-11,15H,12H2,1-3H3,(H2,23,24,27)/t15-/m0/s1