2-[[5-(1-adamantyl)-2,3-dimethyl-phenyl]amino]benzoic acid

Systemtic Name: 2-[[5-(1-adamantyl)-2,3-dimethyl-phenyl]amino]benzoic acid Openeye Name: 2-[5-(1-adamantyl)-2,3-dimethyl-anilino]benzoic acid CAS Name: 2-[5-(1-adamantyl)-2,3-dimethylanilino]benzoic acid IUPAC Name: 2-[5-(1-adamantyl)-2,3-dimethylanilino]benzoic acid Traditional Name: 2-[5-(1-adamantyl)-2,3-dimethyl-anilino]benzoic acid Formula: C25H29NO2 MolecularWeight: 375.50326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29NO2/c1-15-7-20(25-12-17-8-18(13-25)10-19(9-17)14-25)11-23(16(15)2)26-22-6-4-3-5-21(22)24(27)28/h3-7,11,17-19,26H,8-10,12-14H2,1-2H3,(H,27,28)