5-[(E)-2-(4-octyl-5,6,7,8-tetrahydro-4H-carbazol-1-yl)prop-1-enyl]furan-2-carboxylic acid

Systemtic Name: 5-[(E)-2-(4-octyl-5,6,7,8-tetrahydro-4H-carbazol-1-yl)prop-1-enyl]furan-2-carboxylic acid Openeye Name: 5-[(E)-2-(4-octyl-5,6,7,8-tetrahydro-4H-carbazol-1-yl)prop-1-enyl]furan-2-carboxylic acid CAS Name: 5-[(E)-2-(4-octyl-5,6,7,8-tetrahydro-4H-carbazol-1-yl)prop-1-enyl]-2-furancarboxylic acid IUPAC Name: 5-[(E)-2-(4-octyl-5,6,7,8-tetrahydro-4H-carbazol-1-yl)prop-1-enyl]furan-2-carboxylic acid Traditional Name: 5-[(E)-2-(4-octyl-5,6,7,8-tetrahydro-4H-carbazol-1-yl)prop-1-enyl]-2-furoic acid Formula: C28H35NO3 MolecularWeight: 433.5824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C=CC(=C2C1=C3CCCCC3=N2)C(=CC4=CC=C(O4)C(=O)O)C

Isomeric SMILES

CCCCCCCCC1C=CC(=C2C1=C3CCCCC3=N2)/C(=C/C4=CC=C(O4)C(=O)O)/C

InChI

InChI=1S/C28H35NO3/c1-3-4-5-6-7-8-11-20-14-16-22(19(2)18-21-15-17-25(32-21)28(30)31)27-26(20)23-12-9-10-13-24(23)29-27/h14-18,20H,3-13H2,1-2H3,(H,30,31)/b19-18+