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

Systemtic Name: 4-[3-[[(2,6-dimethylphenyl)methylamino]methoxy]-4-methoxy-phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-[[(2,6-dimethylphenyl)methylamino]methoxy]-4-methoxy-phenyl]-4-oxo-butanoic acid CAS Name: 4-[3-[[(2,6-dimethylphenyl)methylamino]methoxy]-4-methoxyphenyl]-4-oxobutanoic acid IUPAC Name: 4-[3-[[(2,6-dimethylphenyl)methylamino]methoxy]-4-methoxyphenyl]-4-oxobutanoic acid Traditional Name: 4-[3-[[(2,6-dimethylbenzyl)amino]methoxy]-4-methoxy-phenyl]-4-keto-butyric acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)CNCOC2=C(C=CC(=C2)C(=O)CCC(=O)O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)CNCOC2=C(C=CC(=C2)C(=O)CCC(=O)O)OC

InChI

InChI=1S/C21H25NO5/c1-14-5-4-6-15(2)17(14)12-22-13-27-20-11-16(7-9-19(20)26-3)18(23)8-10-21(24)25/h4-7,9,11,22H,8,10,12-13H2,1-3H3,(H,24,25)