2-[[4-[(3-methyl-1-adamantyl)methyl]phenyl]amino]benzoic acid

Systemtic Name: 2-[[4-[(3-methyl-1-adamantyl)methyl]phenyl]amino]benzoic acid Openeye Name: 2-[4-[(3-methyl-1-adamantyl)methyl]anilino]benzoic acid CAS Name: 2-[4-[(3-methyl-1-adamantyl)methyl]anilino]benzoic acid IUPAC Name: 2-[4-[(3-methyl-1-adamantyl)methyl]anilino]benzoic acid Traditional Name: 2-[4-[(3-methyl-1-adamantyl)methyl]anilino]benzoic acid Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)(C2)CC4=CC=C(C=C4)NC5=CC=CC=C5C(=O)O

Isomeric SMILES

CC12CC3CC(C1)CC(C3)(C2)CC4=CC=C(C=C4)NC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C25H29NO2/c1-24-11-18-10-19(12-24)15-25(14-18,16-24)13-17-6-8-20(9-7-17)26-22-5-3-2-4-21(22)23(27)28/h2-9,18-19,26H,10-16H2,1H3,(H,27,28)