(2S)-2-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-(6-chloranyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-(6-chloro-7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-(6-chloro-7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetyl]amino]-3-phenyl-propionic acid Formula: C21H18ClNO6 MolecularWeight: 415.82372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H18ClNO6/c1-11-13-8-15(22)17(24)10-18(13)29-21(28)14(11)9-19(25)23-16(20(26)27)7-12-5-3-2-4-6-12/h2-6,8,10,16,24H,7,9H2,1H3,(H,23,25)(H,26,27)/t16-/m0/s1