2-[[3-(1-adamantylmethyl)phenyl]amino]benzoic acid

Systemtic Name: 2-[[3-(1-adamantylmethyl)phenyl]amino]benzoic acid Openeye Name: 2-[3-(1-adamantylmethyl)anilino]benzoic acid CAS Name: 2-[3-(1-adamantylmethyl)anilino]benzoic acid IUPAC Name: 2-[3-(1-adamantylmethyl)anilino]benzoic acid Traditional Name: 2-[3-(1-adamantylmethyl)anilino]benzoic acid Formula: C24H27NO2 MolecularWeight: 361.47668

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC4=CC(=CC=C4)NC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC4=CC(=CC=C4)NC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C24H27NO2/c26-23(27)21-6-1-2-7-22(21)25-20-5-3-4-16(11-20)12-24-13-17-8-18(14-24)10-19(9-17)15-24/h1-7,11,17-19,25H,8-10,12-15H2,(H,26,27)