3-[[(4-octylphenyl)amino]methyl]-2-oxidanyl-benzoic acid

Systemtic Name: 3-[[(4-octylphenyl)amino]methyl]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-3-[(4-octylanilino)methyl]benzoic acid CAS Name: 2-hydroxy-3-[(4-octylanilino)methyl]benzoic acid IUPAC Name: 2-hydroxy-3-[(4-octylanilino)methyl]benzoic acid Traditional Name: 2-hydroxy-3-[(4-octylanilino)methyl]benzoic acid Formula: C22H29NO3 MolecularWeight: 355.47056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)NCC2=CC=CC(=C2O)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)NCC2=CC=CC(=C2O)C(=O)O

InChI

InChI=1S/C22H29NO3/c1-2-3-4-5-6-7-9-17-12-14-19(15-13-17)23-16-18-10-8-11-20(21(18)24)22(25)26/h8,10-15,23-24H,2-7,9,16H2,1H3,(H,25,26)