3-[[3-(1-adamantyl)-4-methoxy-phenyl]carbonylamino]-4-azanyl-benzoic acid

Systemtic Name: 3-[[3-(1-adamantyl)-4-methoxy-phenyl]carbonylamino]-4-azanyl-benzoic acid Openeye Name: 3-[[3-(1-adamantyl)-4-methoxy-benzoyl]amino]-4-amino-benzoic acid CAS Name: 3-[[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethyl]amino]-4-aminobenzoic acid IUPAC Name: 3-[[3-(1-adamantyl)-4-methoxybenzoyl]amino]-4-aminobenzoic acid Traditional Name: 3-[[3-(1-adamantyl)-4-methoxy-benzoyl]amino]-4-amino-benzoic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)N)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)O)N)C34CC5CC(C3)CC(C5)C4

InChI

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