[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C24H23NO6 MolecularWeight: 421.44252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

InChI

InChI=1S/C24H23NO6/c1-14(2)11-22(28)25-16-9-7-15(8-10-16)21(27)13-31-24(30)19-12-20(26)17-5-3-4-6-18(17)23(19)29/h3-10,12,14,26,29H,11,13H2,1-2H3,(H,25,28)