methyl 4-[7-(1-adamantyl)-6-[1-(methoxymethoxy)propyl]naphthalen-2-yl]benzoate

Systemtic Name: methyl 4-[7-(1-adamantyl)-6-[1-(methoxymethoxy)propyl]naphthalen-2-yl]benzoate Openeye Name: methyl 4-[7-(1-adamantyl)-6-[1-(methoxymethoxy)propyl]-2-naphthyl]benzoate CAS Name: 4-[7-(1-adamantyl)-6-[1-(methoxymethoxy)propyl]-2-naphthalenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-(1-adamantyl)-6-[1-(methoxymethoxy)propyl]naphthalen-2-yl]benzoate Traditional Name: 4-[7-(1-adamantyl)-6-[1-(methoxymethoxy)propyl]-2-naphthyl]benzoic acid methyl ester 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)OC)C45CC6CC(C4)CC(C6)C5)OCOC

Isomeric SMILES

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

InChI

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