6-[2-(1-adamantyl)-4-methoxy-phenyl]carbonylnaphthalene-2-carboxylate

Systemtic Name: 6-[2-(1-adamantyl)-4-methoxy-phenyl]carbonylnaphthalene-2-carboxylate Openeye Name: 6-[2-(1-adamantyl)-4-methoxy-benzoyl]naphthalene-2-carboxylate CAS Name: 6-[[2-(1-adamantyl)-4-methoxyphenyl]-oxomethyl]-2-naphthalenecarboxylate IUPAC Name: 6-[2-(1-adamantyl)-4-methoxybenzoyl]naphthalene-2-carboxylate Traditional Name: 6-[2-(1-adamantyl)-4-methoxy-benzoyl]-2-naphthoate Formula: C29H27O4- MolecularWeight: 439.52228

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)C=C(C=C3)C(=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C2=CC3=C(C=C2)C=C(C=C3)C(=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C29H28O4/c1-33-24-6-7-25(26(13-24)29-14-17-8-18(15-29)10-19(9-17)16-29)27(30)22-4-2-21-12-23(28(31)32)5-3-20(21)11-22/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,31,32)/p-1