methyl 4-[7-(1-adamantyl)-6-[(4-fluorophenyl)methoxy]naphthalen-2-yl]-2-oxidanyl-benzoate

Systemtic Name: methyl 4-[7-(1-adamantyl)-6-[(4-fluorophenyl)methoxy]naphthalen-2-yl]-2-oxidanyl-benzoate Openeye Name: methyl 4-[7-(1-adamantyl)-6-[(4-fluorophenyl)methoxy]-2-naphthyl]-2-hydroxy-benzoate CAS Name: 4-[7-(1-adamantyl)-6-[(4-fluorophenyl)methoxy]-2-naphthalenyl]-2-hydroxybenzoic acid methyl ester IUPAC Name: methyl 4-[7-(1-adamantyl)-6-[(4-fluorophenyl)methoxy]naphthalen-2-yl]-2-hydroxybenzoate Traditional Name: 4-[7-(1-adamantyl)-6-(4-fluorobenzyl)oxy-2-naphthyl]-2-hydroxy-benzoic acid methyl ester Formula: C35H33FO4 MolecularWeight: 536.632523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C2=CC3=CC(=C(C=C3C=C2)OCC4=CC=C(C=C4)F)C56CC7CC(C5)CC(C7)C6)O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)C2=CC3=CC(=C(C=C3C=C2)OCC4=CC=C(C=C4)F)C56CC7CC(C5)CC(C7)C6)O

InChI

InChI=1S/C35H33FO4/c1-39-34(38)30-9-6-26(15-32(30)37)25-4-5-27-16-33(40-20-21-2-7-29(36)8-3-21)31(14-28(27)13-25)35-17-22-10-23(18-35)12-24(11-22)19-35/h2-9,13-16,22-24,37H,10-12,17-20H2,1H3