1-(1H-indazol-3-ylcarbonyl)-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(1H-indazol-3-ylcarbonyl)-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-(1H-indazole-3-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[1H-indazol-3-yl(oxo)methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-(1H-indazole-3-carbonyl)piperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-(1H-indazole-3-carbonyl)isonipecotic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C21H21N3O3/c25-19(18-16-8-4-5-9-17(16)22-23-18)24-12-10-21(11-13-24,20(26)27)14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,22,23)(H,26,27)