(E)-3-[(3-oxidanylidene-1,2-dihydroindazol-6-yl)carbamoyl]nonadec-5-enoic acid

Systemtic Name: (E)-3-[(3-oxidanylidene-1,2-dihydroindazol-6-yl)carbamoyl]nonadec-5-enoic acid Openeye Name: (E)-3-[(3-oxo-1,2-dihydroindazol-6-yl)carbamoyl]nonadec-5-enoic acid CAS Name: (E)-3-[oxo-[(3-oxo-1,2-dihydroindazol-6-yl)amino]methyl]-5-nonadecenoic acid IUPAC Name: (E)-3-[(3-oxo-1,2-dihydroindazol-6-yl)carbamoyl]nonadec-5-enoic acid Traditional Name: (E)-3-[(3-ketoindazolin-6-yl)carbamoyl]nonadec-5-enoic acid Formula: C27H41N3O4 MolecularWeight: 471.63214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CCC(CC(=O)O)C(=O)NC1=CC2=C(C=C1)C(=O)NN2

Isomeric SMILES

CCCCCCCCCCCCC/C=C/CC(CC(=O)O)C(=O)NC1=CC2=C(C=C1)C(=O)NN2

InChI

InChI=1S/C27H41N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(19-25(31)32)26(33)28-22-17-18-23-24(20-22)29-30-27(23)34/h14-15,17-18,20-21H,2-13,16,19H2,1H3,(H,28,33)(H,31,32)(H2,29,30,34)/b15-14+