2-[2-azanylethyl-[1-(4-methyl-2-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]-2-(4-methyl-2-oxidanyl-phenyl)ethanoic acid

Systemtic Name: 2-[2-azanylethyl-[1-(4-methyl-2-oxidanyl-phenyl)-2-oxidanyl-2-oxidanylidene-ethyl]amino]-2-(4-methyl-2-oxidanyl-phenyl)ethanoic acid Openeye Name: 2-[2-aminoethyl-[2-hydroxy-1-(2-hydroxy-4-methyl-phenyl)-2-oxo-ethyl]amino]-2-(2-hydroxy-4-methyl-phenyl)acetic acid CAS Name: 2-[2-aminoethyl-[2-hydroxy-1-(2-hydroxy-4-methylphenyl)-2-oxoethyl]amino]-2-(2-hydroxy-4-methylphenyl)acetic acid IUPAC Name: 2-[2-aminoethyl-[2-hydroxy-1-(2-hydroxy-4-methylphenyl)-2-oxoethyl]amino]-2-(2-hydroxy-4-methylphenyl)acetic acid Traditional Name: 2-[2-aminoethyl-[2-hydroxy-1-(2-hydroxy-4-methyl-phenyl)-2-keto-ethyl]amino]-2-(2-hydroxy-4-methyl-phenyl)acetic acid Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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