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

Systemtic Name: 4-[7-(1-adamantyl)-6-(2-morpholin-4-ylethoxy)naphthalen-2-yl]benzoic acid Openeye Name: 4-[7-(1-adamantyl)-6-(2-morpholinoethoxy)-2-naphthyl]benzoic acid CAS Name: 4-[7-(1-adamantyl)-6-[2-(4-morpholinyl)ethoxy]-2-naphthalenyl]benzoic acid IUPAC Name: 4-[7-(1-adamantyl)-6-(2-morpholin-4-ylethoxy)naphthalen-2-yl]benzoic acid Traditional Name: 4-[7-(1-adamantyl)-6-(2-morpholinoethoxy)-2-naphthyl]benzoic acid Formula: C33H37NO4 MolecularWeight: 511.65118

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCOC2=C(C=C3C=C(C=CC3=C2)C4=CC=C(C=C4)C(=O)O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1COCCN1CCOC2=C(C=C3C=C(C=CC3=C2)C4=CC=C(C=C4)C(=O)O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C33H37NO4/c35-32(36)26-3-1-25(2-4-26)27-5-6-28-18-31(38-12-9-34-7-10-37-11-8-34)30(17-29(28)16-27)33-19-22-13-23(20-33)15-24(14-22)21-33/h1-6,16-18,22-24H,7-15,19-21H2,(H,35,36)