3-(naphthalen-2-ylmethoxy)-4-[4-(4-phenoxybut-2-ynoxy)phenyl]piperidine-1-carboxylic acid

Systemtic Name: 3-(naphthalen-2-ylmethoxy)-4-[4-(4-phenoxybut-2-ynoxy)phenyl]piperidine-1-carboxylic acid Openeye Name: 3-(2-naphthylmethoxy)-4-[4-(4-phenoxybut-2-ynoxy)phenyl]piperidine-1-carboxylic acid CAS Name: 3-(2-naphthalenylmethoxy)-4-[4-(4-phenoxybut-2-ynoxy)phenyl]-1-piperidinecarboxylic acid IUPAC Name: 3-(naphthalen-2-ylmethoxy)-4-[4-(4-phenoxybut-2-ynoxy)phenyl]piperidine-1-carboxylic acid Traditional Name: 3-(2-naphthylmethoxy)-4-[4-(4-phenoxybut-2-ynoxy)phenyl]piperidine-1-carboxylic acid Formula: C33H31NO5 MolecularWeight: 521.60294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)OCC#CCOC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)OCC#CCOC3=CC=CC=C3)OCC4=CC5=CC=CC=C5C=C4)C(=O)O

InChI

InChI=1S/C33H31NO5/c35-33(36)34-19-18-31(32(23-34)39-24-25-12-13-26-8-4-5-9-28(26)22-25)27-14-16-30(17-15-27)38-21-7-6-20-37-29-10-2-1-3-11-29/h1-5,8-17,22,31-32H,18-21,23-24H2,(H,35,36)