4-[7-(1-adamantyl)-6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]benzoic acid

Systemtic Name: 4-[7-(1-adamantyl)-6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]benzoic acid Openeye Name: 4-[7-(1-adamantyl)-6-[2-(1-piperidyl)ethoxy]-2-naphthyl]benzoic acid CAS Name: 4-[7-(1-adamantyl)-6-[2-(1-piperidinyl)ethoxy]-2-naphthalenyl]benzoic acid IUPAC Name: 4-[7-(1-adamantyl)-6-(2-piperidin-1-ylethoxy)naphthalen-2-yl]benzoic acid Traditional Name: 4-[7-(1-adamantyl)-6-(2-piperidinoethoxy)-2-naphthyl]benzoic acid Formula: C34H39NO3 MolecularWeight: 509.67836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=C(C=C3C=C(C=CC3=C2)C4=CC=C(C=C4)C(=O)O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CCN(CC1)CCOC2=C(C=C3C=C(C=CC3=C2)C4=CC=C(C=C4)C(=O)O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C34H39NO3/c36-33(37)27-6-4-26(5-7-27)28-8-9-29-19-32(38-13-12-35-10-2-1-3-11-35)31(18-30(29)17-28)34-20-23-14-24(21-34)16-25(15-23)22-34/h4-9,17-19,23-25H,1-3,10-16,20-22H2,(H,36,37)