4-[3-[2-[(2,6-dimethylphenyl)methylamino]-2-oxidanylidene-ethoxy]phenyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-[2-[(2,6-dimethylphenyl)methylamino]-2-oxidanylidene-ethoxy]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[2-[(2,6-dimethylphenyl)methylamino]-2-oxo-ethoxy]phenyl]-4-oxo-butanoic acid CAS Name: 4-[3-[2-[(2,6-dimethylphenyl)methylamino]-2-oxoethoxy]phenyl]-4-oxobutanoic acid IUPAC Name: 4-[3-[2-[(2,6-dimethylphenyl)methylamino]-2-oxoethoxy]phenyl]-4-oxobutanoic acid Traditional Name: 4-[3-[2-[(2,6-dimethylbenzyl)amino]-2-keto-ethoxy]phenyl]-4-keto-butyric acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CNC(=O)COC2=CC=CC(=C2)C(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)CNC(=O)COC2=CC=CC(=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C21H23NO5/c1-14-5-3-6-15(2)18(14)12-22-20(24)13-27-17-8-4-7-16(11-17)19(23)9-10-21(25)26/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,24)(H,25,26)