1-[naphthalen-2-yl-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[naphthalen-2-yl-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-naphthyl-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[2-naphthalenyl-(3-phenoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[naphthalen-2-yl-(3-phenoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-naphthyl-(3-phenoxyphenyl)methyl]isonipecotic acid Formula: C29H27NO3 MolecularWeight: 437.52958

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H27NO3/c31-29(32)22-15-17-30(18-16-22)28(25-14-13-21-7-4-5-8-23(21)19-25)24-9-6-12-27(20-24)33-26-10-2-1-3-11-26/h1-14,19-20,22,28H,15-18H2,(H,31,32)