3-(1-adamantyl)-1-(4-methoxycarbonylphenyl)naphthalene-2-carboxylic acid

Systemtic Name: 3-(1-adamantyl)-1-(4-methoxycarbonylphenyl)naphthalene-2-carboxylic acid Openeye Name: 3-(1-adamantyl)-1-(4-methoxycarbonylphenyl)naphthalene-2-carboxylic acid CAS Name: 3-(1-adamantyl)-1-(4-methoxycarbonylphenyl)-2-naphthalenecarboxylic acid IUPAC Name: 3-(1-adamantyl)-1-(4-methoxycarbonylphenyl)naphthalene-2-carboxylic acid Traditional Name: 3-(1-adamantyl)-1-(4-carbomethoxyphenyl)-2-naphthoic acid Formula: C29H28O4 MolecularWeight: 440.53022

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5)C(=O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C45CC6CC(C4)CC(C6)C5)C(=O)O

InChI

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