(E)-2-[2-oxidanylidene-2-[(3-oxidanylidene-1,2-dihydroindazol-6-yl)amino]ethyl]icos-2-enoic acid

Systemtic Name: (E)-2-[2-oxidanylidene-2-[(3-oxidanylidene-1,2-dihydroindazol-6-yl)amino]ethyl]icos-2-enoic acid Openeye Name: (E)-2-[2-oxo-2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]ethyl]icos-2-enoic acid CAS Name: (E)-2-[2-oxo-2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]ethyl]-2-eicosenoic acid IUPAC Name: (E)-2-[2-oxo-2-[(3-oxo-1,2-dihydroindazol-6-yl)amino]ethyl]icos-2-enoic acid Traditional Name: (E)-2-[2-keto-2-[(3-ketoindazolin-6-yl)amino]ethyl]eicos-2-enoic acid Formula: C29H45N3O4 MolecularWeight: 499.6853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC=C(CC(=O)NC1=CC2=C(C=C1)C(=O)NN2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC/C=C(\CC(=O)NC1=CC2=C(C=C1)C(=O)NN2)/C(=O)O

InChI

InChI=1S/C29H45N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(29(35)36)21-27(33)30-24-19-20-25-26(22-24)31-32-28(25)34/h18-20,22H,2-17,21H2,1H3,(H,30,33)(H,35,36)(H2,31,32,34)/b23-18+