4-[7-(1-adamantyl)-6-[1-(1-methoxyethoxy)propyl]naphthalen-2-yl]benzoic acid

Systemtic Name: 4-[7-(1-adamantyl)-6-[1-(1-methoxyethoxy)propyl]naphthalen-2-yl]benzoic acid Openeye Name: 4-[7-(1-adamantyl)-6-[1-(1-methoxyethoxy)propyl]-2-naphthyl]benzoic acid CAS Name: 4-[7-(1-adamantyl)-6-[1-(1-methoxyethoxy)propyl]-2-naphthalenyl]benzoic acid IUPAC Name: 4-[7-(1-adamantyl)-6-[1-(1-methoxyethoxy)propyl]naphthalen-2-yl]benzoic acid Traditional Name: 4-[7-(1-adamantyl)-6-[1-(1-methoxyethoxy)propyl]-2-naphthyl]benzoic acid Formula: C33H38O4 MolecularWeight: 498.65242

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5)OC(C)OC

Isomeric SMILES

CCC(C1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5)OC(C)OC

InChI

InChI=1S/C33H38O4/c1-4-31(37-20(2)36-3)29-15-27-10-9-26(24-5-7-25(8-6-24)32(34)35)14-28(27)16-30(29)33-17-21-11-22(18-33)13-23(12-21)19-33/h5-10,14-16,20-23,31H,4,11-13,17-19H2,1-3H3,(H,34,35)