3-azanyl-4-octadecoxy-benzoic acid

Systemtic Name: 3-azanyl-4-octadecoxy-benzoic acid Openeye Name: 3-amino-4-octadecoxy-benzoic acid CAS Name: 3-amino-4-octadecoxybenzoic acid IUPAC Name: 3-amino-4-octadecoxybenzoic acid Traditional Name: 3-amino-4-stearyloxy-benzoic acid Formula: C25H43NO3 MolecularWeight: 405.61382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)O)N

InChI

InChI=1S/C25H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-24-19-18-22(25(27)28)21-23(24)26/h18-19,21H,2-17,20,26H2,1H3,(H,27,28)