1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[3-(4-octylphenoxy)-2-oxidanylidene-propyl]pyrrole-2-carboxylic acid Openeye Name: 1-[3-(4-octylphenoxy)-2-oxo-propyl]pyrrole-2-carboxylic acid CAS Name: 1-[3-(4-octylphenoxy)-2-oxopropyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[3-(4-octylphenoxy)-2-oxopropyl]pyrrole-2-carboxylic acid Traditional Name: 1-[2-keto-3-(4-octylphenoxy)propyl]pyrrole-2-carboxylic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=CC=C2C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)OCC(=O)CN2C=CC=C2C(=O)O

InChI

InChI=1S/C22H29NO4/c1-2-3-4-5-6-7-9-18-11-13-20(14-12-18)27-17-19(24)16-23-15-8-10-21(23)22(25)26/h8,10-15H,2-7,9,16-17H2,1H3,(H,25,26)