3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(4-phenoxybut-2-ynoxy)phenyl]piperidine-1-carboxylic acid

Systemtic Name: 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(4-phenoxybut-2-ynoxy)phenyl]piperidine-1-carboxylic acid Openeye Name: 3-[(1,4-dimethoxy-2-naphthyl)methoxy]-4-[4-(4-phenoxybut-2-ynoxy)phenyl]piperidine-1-carboxylic acid CAS Name: 3-[(1,4-dimethoxy-2-naphthalenyl)methoxy]-4-[4-(4-phenoxybut-2-ynoxy)phenyl]-1-piperidinecarboxylic acid IUPAC Name: 3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-(4-phenoxybut-2-ynoxy)phenyl]piperidine-1-carboxylic acid Traditional Name: 3-[(1,4-dimethoxy-2-naphthyl)methoxy]-4-[4-(4-phenoxybut-2-ynoxy)phenyl]piperidine-1-carboxylic acid Formula: C35H35NO7 MolecularWeight: 581.6549

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C2=CC=CC=C21)OC)COC3CN(CCC3C4=CC=C(C=C4)OCC#CCOC5=CC=CC=C5)C(=O)O

Isomeric SMILES

COC1=CC(=C(C2=CC=CC=C21)OC)COC3CN(CCC3C4=CC=C(C=C4)OCC#CCOC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C35H35NO7/c1-39-32-22-26(34(40-2)31-13-7-6-12-30(31)32)24-43-33-23-36(35(37)38)19-18-29(33)25-14-16-28(17-15-25)42-21-9-8-20-41-27-10-4-3-5-11-27/h3-7,10-17,22,29,33H,18-21,23-24H2,1-2H3,(H,37,38)