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

Systemtic Name: methyl 4-[7-(1-adamantyl)-6-(1-oxidanylpropyl)naphthalen-2-yl]benzoate Openeye Name: methyl 4-[7-(1-adamantyl)-6-(1-hydroxypropyl)-2-naphthyl]benzoate CAS Name: 4-[7-(1-adamantyl)-6-(1-hydroxypropyl)-2-naphthalenyl]benzoic acid methyl ester IUPAC Name: methyl 4-[7-(1-adamantyl)-6-(1-hydroxypropyl)naphthalen-2-yl]benzoate Traditional Name: 4-[7-(1-adamantyl)-6-(1-hydroxypropyl)-2-naphthyl]benzoic acid methyl ester Formula: C31H34O3 MolecularWeight: 454.59986

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C31H34O3/c1-3-29(32)27-14-25-9-8-24(22-4-6-23(7-5-22)30(33)34-2)13-26(25)15-28(27)31-16-19-10-20(17-31)12-21(11-19)18-31/h4-9,13-15,19-21,29,32H,3,10-12,16-18H2,1-2H3