4-[4-(hydroxymethyl)-1-[(2-methoxy-5-methyl-phenyl)amino]-5-oxidanyl-1,3-bis(oxidanylidene)pentan-2-yl]oxybenzoic acid

Systemtic Name: 4-[4-(hydroxymethyl)-1-[(2-methoxy-5-methyl-phenyl)amino]-5-oxidanyl-1,3-bis(oxidanylidene)pentan-2-yl]oxybenzoic acid Openeye Name: 4-[4-hydroxy-3-(hydroxymethyl)-1-[(2-methoxy-5-methyl-phenyl)carbamoyl]-2-oxo-butoxy]benzoic acid CAS Name: 4-[5-hydroxy-4-(hydroxymethyl)-1-(2-methoxy-5-methylanilino)-1,3-dioxopentan-2-yl]oxybenzoic acid IUPAC Name: 4-[5-hydroxy-4-(hydroxymethyl)-1-(2-methoxy-5-methylanilino)-1,3-dioxopentan-2-yl]oxybenzoic acid Traditional Name: 4-[4-hydroxy-2-keto-1-[(2-methoxy-5-methyl-phenyl)carbamoyl]-3-methylol-butoxy]benzoic acid Formula: C21H23NO8 MolecularWeight: 417.40922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C(=O)C(CO)CO)OC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(C(=O)C(CO)CO)OC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H23NO8/c1-12-3-8-17(29-2)16(9-12)22-20(26)19(18(25)14(10-23)11-24)30-15-6-4-13(5-7-15)21(27)28/h3-9,14,19,23-24H,10-11H2,1-2H3,(H,22,26)(H,27,28)