methyl 6-[3-(1-adamantyl)-4-(3-oxidanylpropoxy)phenyl]naphthalene-2-carboxylate

Systemtic Name: methyl 6-[3-(1-adamantyl)-4-(3-oxidanylpropoxy)phenyl]naphthalene-2-carboxylate Openeye Name: methyl 6-[3-(1-adamantyl)-4-(3-hydroxypropoxy)phenyl]naphthalene-2-carboxylate CAS Name: 6-[3-(1-adamantyl)-4-(3-hydroxypropoxy)phenyl]-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 6-[3-(1-adamantyl)-4-(3-hydroxypropoxy)phenyl]naphthalene-2-carboxylate Traditional Name: 6-[3-(1-adamantyl)-4-(3-hydroxypropoxy)phenyl]naphthalene-2-carboxylic acid methyl ester Formula: C31H34O4 MolecularWeight: 470.59926

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C(C=C3)OCCCO)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3=CC(=C(C=C3)OCCCO)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H34O4/c1-34-30(33)27-6-5-23-14-24(3-4-25(23)15-27)26-7-8-29(35-10-2-9-32)28(16-26)31-17-20-11-21(18-31)13-22(12-20)19-31/h3-8,14-16,20-22,32H,2,9-13,17-19H2,1H3