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2-[[5-(1-adamantyl)-2-methyl-phenyl]amino]benzoic acid

2-[[5-(1-adamantyl)-2-methyl-phenyl]amino]benzoic acid

Systemtic Name:2-[[5-(1-adamantyl)-2-methyl-phenyl]amino]benzoic acid
Openeye Name:2-[5-(1-adamantyl)-2-methyl-anilino]benzoic acid
CAS Name:2-[5-(1-adamantyl)-2-methylanilino]benzoic acid
IUPAC Name:2-[5-(1-adamantyl)-2-methylanilino]benzoic acid
Traditional Name:2-[5-(1-adamantyl)-2-methyl-anilino]benzoic acid
Formula: C24H27NO2
MolecularWeight: 361.47668
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)NC5=CC=CC=C5C(=O)O


Isomeric SMILES

CC1=C(C=C(C=C1)C23CC4CC(C2)CC(C4)C3)NC5=CC=CC=C5C(=O)O


InChI

InChI=1S/C24H27NO2/c1-15-6-7-19(24-12-16-8-17(13-24)10-18(9-16)14-24)11-22(15)25-21-5-3-2-4-20(21)23(26)27/h2-7,11,16-18,25H,8-10,12-14H2,1H3,(H,26,27)


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