4-[[C-[3-(1-adamantyl)-4-methoxy-phenyl]-N-methyl-carbonimidoyl]amino]benzoic acid

Systemtic Name: 4-[[C-[3-(1-adamantyl)-4-methoxy-phenyl]-N-methyl-carbonimidoyl]amino]benzoic acid Openeye Name: 4-[[C-[3-(1-adamantyl)-4-methoxy-phenyl]-N-methyl-carbonimidoyl]amino]benzoic acid CAS Name: 4-[[[3-(1-adamantyl)-4-methoxyphenyl]-methyliminomethyl]amino]benzoic acid IUPAC Name: 4-[[C-[3-(1-adamantyl)-4-methoxyphenyl]-N-methylcarbonimidoyl]amino]benzoic acid Traditional Name: 4-[[C-[3-(1-adamantyl)-4-methoxy-phenyl]-N-methyl-carbonimidoyl]amino]benzoic acid Formula: C26H30N2O3 MolecularWeight: 418.528

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(C1=CC(=C(C=C1)OC)C23CC4CC(C2)CC(C4)C3)NC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CN=C(C1=CC(=C(C=C1)OC)C23CC4CC(C2)CC(C4)C3)NC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C26H30N2O3/c1-27-24(28-21-6-3-19(4-7-21)25(29)30)20-5-8-23(31-2)22(12-20)26-13-16-9-17(14-26)11-18(10-16)15-26/h3-8,12,16-18H,9-11,13-15H2,1-2H3,(H,27,28)(H,29,30)