6-[3-(1-adamantyl)-4-methoxy-phenyl]carbonylnaphthalene-2-carboxylic acid

Systemtic Name: 6-[3-(1-adamantyl)-4-methoxy-phenyl]carbonylnaphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-4-methoxy-benzoyl]naphthalene-2-carboxylic acid CAS Name: 6-[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-4-methoxybenzoyl]naphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-4-methoxy-benzoyl]-2-naphthoic acid Formula: C29H28O4 MolecularWeight: 440.53022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=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=C(C=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/c1-33-26-7-6-23(13-25(26)29-14-17-8-18(15-29)10-19(9-17)16-29)27(30)22-4-2-21-12-24(28(31)32)5-3-20(21)11-22/h2-7,11-13,17-19H,8-10,14-16H2,1H3,(H,31,32)