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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC5=CC=CC=C54

InChI

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