2-(2-cyclohexa-1,3-dien-1-yl-5-methoxy-phenoxy)-2-(dibutylamino)ethanoic acid

Systemtic Name: 2-(2-cyclohexa-1,3-dien-1-yl-5-methoxy-phenoxy)-2-(dibutylamino)ethanoic acid Openeye Name: 2-(2-cyclohexa-1,3-dien-1-yl-5-methoxy-phenoxy)-2-(dibutylamino)acetic acid CAS Name: 2-[2-(1-cyclohexa-1,3-dienyl)-5-methoxyphenoxy]-2-(dibutylamino)acetic acid IUPAC Name: 2-(2-cyclohexa-1,3-dien-1-yl-5-methoxyphenoxy)-2-(dibutylamino)acetic acid Traditional Name: 2-(2-cyclohexa-1,3-dien-1-yl-5-methoxy-phenoxy)-2-(dibutylamino)acetic acid Formula: C23H33NO4 MolecularWeight: 387.51242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(C(=O)O)OC1=C(C=CC(=C1)OC)C2=CC=CCC2

Isomeric SMILES

CCCCN(CCCC)C(C(=O)O)OC1=C(C=CC(=C1)OC)C2=CC=CCC2

InChI

InChI=1S/C23H33NO4/c1-4-6-15-24(16-7-5-2)22(23(25)26)28-21-17-19(27-3)13-14-20(21)18-11-9-8-10-12-18/h8-9,11,13-14,17,22H,4-7,10,12,15-16H2,1-3H3,(H,25,26)