3-azanyl-2-[(9E,12E,15E)-octadeca-9,12,15-trienoxy]benzoic acid

Systemtic Name: 3-azanyl-2-[(9E,12E,15E)-octadeca-9,12,15-trienoxy]benzoic acid Openeye Name: 3-amino-2-[(9E,12E,15E)-octadeca-9,12,15-trienoxy]benzoic acid CAS Name: 3-amino-2-[(9E,12E,15E)-octadeca-9,12,15-trienoxy]benzoic acid IUPAC Name: 3-amino-2-[(9E,12E,15E)-octadeca-9,12,15-trienoxy]benzoic acid Traditional Name: 3-amino-2-[(9E,12E,15E)-octadeca-9,12,15-trienoxy]benzoic acid Formula: C25H37NO3 MolecularWeight: 399.56618

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC=CCCCCCCCCOC1=C(C=CC=C1N)C(=O)O

Isomeric SMILES

CC/C=C/C/C=C/C/C=C/CCCCCCCCOC1=C(C=CC=C1N)C(=O)O

InChI

InChI=1S/C25H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-24-22(25(27)28)19-18-20-23(24)26/h3-4,6-7,9-10,18-20H,2,5,8,11-17,21,26H2,1H3,(H,27,28)/b4-3+,7-6+,10-9+