3-methyl-4-[[(2E)-7-methylocta-2,6-dienyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 3-methyl-4-[[(2E)-7-methylocta-2,6-dienyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3-methyl-4-[[(2E)-7-methylocta-2,6-dienyl]amino]benzoic acid CAS Name: 2-hydroxy-3-methyl-4-[[(2E)-7-methylocta-2,6-dienyl]amino]benzoic acid IUPAC Name: 2-hydroxy-3-methyl-4-[[(2E)-7-methylocta-2,6-dienyl]amino]benzoic acid Traditional Name: 2-hydroxy-3-methyl-4-[[(2E)-7-methylocta-2,6-dienyl]amino]benzoic acid Formula: C17H23NO3 MolecularWeight: 289.36942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C(=O)O)NCC=CCCC=C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1O)C(=O)O)NC/C=C/CCC=C(C)C

InChI

InChI=1S/C17H23NO3/c1-12(2)8-6-4-5-7-11-18-15-10-9-14(17(20)21)16(19)13(15)3/h5,7-10,18-19H,4,6,11H2,1-3H3,(H,20,21)/b7-5+