3-[4-[(2-carboxyphenyl)amino]phenyl]adamantane-1-carboxylic acid

Systemtic Name: 3-[4-[(2-carboxyphenyl)amino]phenyl]adamantane-1-carboxylic acid Openeye Name: 3-[4-(2-carboxyanilino)phenyl]adamantane-1-carboxylic acid CAS Name: 3-[4-(2-carboxyanilino)phenyl]-1-adamantanecarboxylic acid IUPAC Name: 3-[4-(2-carboxyanilino)phenyl]adamantane-1-carboxylic acid Traditional Name: 3-[4-(2-carboxyanilino)phenyl]adamantane-1-carboxylic acid Formula: C24H25NO4 MolecularWeight: 391.4596

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)O)C4=CC=C(C=C4)NC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)C(=O)O)C4=CC=C(C=C4)NC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C24H25NO4/c26-21(27)19-3-1-2-4-20(19)25-18-7-5-17(6-8-18)23-10-15-9-16(11-23)13-24(12-15,14-23)22(28)29/h1-8,15-16,25H,9-14H2,(H,26,27)(H,28,29)