6-[3-(1-adamantyl)-4-methoxycarbonyl-phenyl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[3-(1-adamantyl)-4-methoxycarbonyl-phenyl]naphthalene-2-carboxylic acid Openeye Name: 6-[3-(1-adamantyl)-4-methoxycarbonyl-phenyl]naphthalene-2-carboxylic acid CAS Name: 6-[3-(1-adamantyl)-4-methoxycarbonylphenyl]-2-naphthalenecarboxylic acid IUPAC Name: 6-[3-(1-adamantyl)-4-methoxycarbonylphenyl]naphthalene-2-carboxylic acid Traditional Name: 6-[3-(1-adamantyl)-4-carbomethoxy-phenyl]-2-naphthoic acid Formula: C29H28O4 MolecularWeight: 440.53022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

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