(2S)-2-[2-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[2-(4,8-dimethyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[2-(7-hydroxy-4,8-dimethyl-2-oxo-chromen-3-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-(7-hydroxy-4,8-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(7-hydroxy-2-keto-4,8-dimethyl-chromen-3-yl)acetyl]amino]-3-phenyl-propionate Formula: C22H20NO6- MolecularWeight: 394.3973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CC(=O)NC(CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H21NO6/c1-12-15-8-9-18(24)13(2)20(15)29-22(28)16(12)11-19(25)23-17(21(26)27)10-14-6-4-3-5-7-14/h3-9,17,24H,10-11H2,1-2H3,(H,23,25)(H,26,27)/p-1/t17-/m0/s1