2-[2-(6-chloranyl-7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name: 2-[2-(6-chloranyl-7-methoxy-4-methyl-2-oxidanylidene-chromen-3-yl)ethanoylamino]-3-(4-hydroxyphenyl)propanoic acid Openeye Name: 2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxo-chromen-3-yl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxo-1-benzopyran-3-yl)-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanoic acid IUPAC Name: 2-[[2-(6-chloro-7-methoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[[2-(6-chloro-2-keto-7-methoxy-4-methyl-chromen-3-yl)acetyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C22H20ClNO7 MolecularWeight: 445.8497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO7/c1-11-14-8-16(23)19(30-2)10-18(14)31-22(29)15(11)9-20(26)24-17(21(27)28)7-12-3-5-13(25)6-4-12/h3-6,8,10,17,25H,7,9H2,1-2H3,(H,24,26)(H,27,28)