2-(2H-indazol-3-yl)-2-[2-[(E)-2-piperidin-4-ylethenyl]piperidin-1-yl]ethanoic acid

Systemtic Name: 2-(2H-indazol-3-yl)-2-[2-[(E)-2-piperidin-4-ylethenyl]piperidin-1-yl]ethanoic acid Openeye Name: 2-(2H-indazol-3-yl)-2-[2-[(E)-2-(4-piperidyl)vinyl]-1-piperidyl]acetic acid CAS Name: 2-(2H-indazol-3-yl)-2-[2-[(E)-2-(4-piperidinyl)ethenyl]-1-piperidinyl]acetic acid IUPAC Name: 2-(2H-indazol-3-yl)-2-[2-[(E)-2-piperidin-4-ylethenyl]piperidin-1-yl]acetic acid Traditional Name: 2-(2H-indazol-3-yl)-2-[2-[(E)-2-(4-piperidyl)vinyl]piperidino]acetic acid Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C=CC2CCNCC2)C(C3=C4C=CC=CC4=NN3)C(=O)O

Isomeric SMILES

C1CCN(C(C1)/C=C/C2CCNCC2)C(C3=C4C=CC=CC4=NN3)C(=O)O

InChI

InChI=1S/C21H28N4O2/c26-21(27)20(19-17-6-1-2-7-18(17)23-24-19)25-14-4-3-5-16(25)9-8-15-10-12-22-13-11-15/h1-2,6-9,15-16,20,22H,3-5,10-14H2,(H,23,24)(H,26,27)/b9-8+