4-[[3-(1-adamantyl)-4-methoxy-phenyl]-ethanoyl-amino]benzoic acid

Systemtic Name: 4-[[3-(1-adamantyl)-4-methoxy-phenyl]-ethanoyl-amino]benzoic acid Openeye Name: 4-[N-acetyl-3-(1-adamantyl)-4-methoxy-anilino]benzoic acid CAS Name: 4-[N-acetyl-3-(1-adamantyl)-4-methoxyanilino]benzoic acid IUPAC Name: 4-[N-acetyl-3-(1-adamantyl)-4-methoxyanilino]benzoic acid Traditional Name: 4-[N-acetyl-3-(1-adamantyl)-4-methoxy-anilino]benzoic acid Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=C(C=C1)C(=O)O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)N(C1=CC=C(C=C1)C(=O)O)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H29NO4/c1-16(28)27(21-5-3-20(4-6-21)25(29)30)22-7-8-24(31-2)23(12-22)26-13-17-9-18(14-26)11-19(10-17)15-26/h3-8,12,17-19H,9-11,13-15H2,1-2H3,(H,29,30)