4-[(4-tridecoxyphenyl)methylamino]benzoic acid

Systemtic Name: 4-[(4-tridecoxyphenyl)methylamino]benzoic acid Openeye Name: 4-[(4-tridecoxyphenyl)methylamino]benzoic acid CAS Name: 4-[(4-tridecoxyphenyl)methylamino]benzoic acid IUPAC Name: 4-[(4-tridecoxyphenyl)methylamino]benzoic acid Traditional Name: 4-[(4-tridecoxybenzyl)amino]benzoic acid Formula: C27H39NO3 MolecularWeight: 425.60346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC=C(C=C1)CNC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC=C(C=C1)CNC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C27H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-21-31-26-19-13-23(14-20-26)22-28-25-17-15-24(16-18-25)27(29)30/h13-20,28H,2-12,21-22H2,1H3,(H,29,30)