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

Systemtic Name: methyl 4-[6-(1-acetyloxypentoxy)-7-(1-adamantyl)naphthalen-2-yl]benzoate Openeye Name: methyl 4-[6-(1-acetoxypentoxy)-7-(1-adamantyl)-2-naphthyl]benzoate CAS Name: 4-[6-(1-acetyloxypentoxy)-7-(1-adamantyl)-2-naphthalenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(1-acetyloxypentoxy)-7-(1-adamantyl)naphthalen-2-yl]benzoate Traditional Name: 4-[6-(1-acetoxypentoxy)-7-(1-adamantyl)-2-naphthyl]benzoic acid methyl ester Formula: C35H40O5 MolecularWeight: 540.6891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(OC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)OC)C45CC6CC(C4)CC(C6)C5)OC(=O)C

Isomeric SMILES

CCCCC(OC1=C(C=C2C=C(C=CC2=C1)C3=CC=C(C=C3)C(=O)OC)C45CC6CC(C4)CC(C6)C5)OC(=O)C

InChI

InChI=1S/C35H40O5/c1-4-5-6-33(39-22(2)36)40-32-18-29-12-11-28(26-7-9-27(10-8-26)34(37)38-3)16-30(29)17-31(32)35-19-23-13-24(20-35)15-25(14-23)21-35/h7-12,16-18,23-25,33H,4-6,13-15,19-21H2,1-3H3