2-[2-azanylethyl-[1-(3-methyl-2-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]-2-(3-methyl-2-oxidanyl-phenyl)ethanoic acid

Systemtic Name: 2-[2-azanylethyl-[1-(3-methyl-2-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]-2-(3-methyl-2-oxidanyl-phenyl)ethanoic acid Openeye Name: 2-[2-aminoethyl-[2-hydroxy-1-(2-hydroxy-3-methyl-phenyl)-2-oxo-ethyl]amino]-2-(2-hydroxy-3-methyl-phenyl)acetic acid CAS Name: 2-[2-aminoethyl-[2-hydroxy-1-(2-hydroxy-3-methylphenyl)-2-oxoethyl]amino]-2-(2-hydroxy-3-methylphenyl)acetic acid IUPAC Name: 2-[2-aminoethyl-[2-hydroxy-1-(2-hydroxy-3-methylphenyl)-2-oxoethyl]amino]-2-(2-hydroxy-3-methylphenyl)acetic acid Traditional Name: 2-[2-aminoethyl-[2-hydroxy-1-(2-hydroxy-3-methyl-phenyl)-2-keto-ethyl]amino]-2-(2-hydroxy-3-methyl-phenyl)acetic acid Formula: C20H24N2O6 MolecularWeight: 388.41436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C(=O)O)N(CCN)C(C2=CC=CC(=C2O)C)C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C(C(=O)O)N(CCN)C(C2=CC=CC(=C2O)C)C(=O)O)O

InChI

InChI=1S/C20H24N2O6/c1-11-5-3-7-13(17(11)23)15(19(25)26)22(10-9-21)16(20(27)28)14-8-4-6-12(2)18(14)24/h3-8,15-16,23-24H,9-10,21H2,1-2H3,(H,25,26)(H,27,28)