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

Systemtic Name: 4-[[3-(1-adamantyl)-4-methoxy-phenyl]-aminocarbonyl-amino]benzoic acid Openeye Name: 4-[3-(1-adamantyl)-N-carbamoyl-4-methoxy-anilino]benzoic acid CAS Name: 4-[3-(1-adamantyl)-N-carbamoyl-4-methoxyanilino]benzoic acid IUPAC Name: 4-[3-(1-adamantyl)-N-carbamoyl-4-methoxyanilino]benzoic acid Traditional Name: 4-[3-(1-adamantyl)-N-carbamoyl-4-methoxy-anilino]benzoic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(C2=CC=C(C=C2)C(=O)O)C(=O)N)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)N(C2=CC=C(C=C2)C(=O)O)C(=O)N)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28N2O4/c1-31-22-7-6-20(27(24(26)30)19-4-2-18(3-5-19)23(28)29)11-21(22)25-12-15-8-16(13-25)10-17(9-15)14-25/h2-7,11,15-17H,8-10,12-14H2,1H3,(H2,26,30)(H,28,29)