N-[4-[4-(1-adamantylcarbonylamino)-3-methoxy-phenyl]-2-methoxy-phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-(1-adamantylcarbonylamino)-3-methoxy-phenyl]-2-methoxy-phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-(adamantane-1-carbonylamino)-3-methoxy-phenyl]-2-methoxy-phenyl]adamantane-1-carboxamide CAS Name: N-[4-[4-[[1-adamantyl(oxo)methyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-(adamantane-1-carbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(adamantane-1-carbonylamino)-3-methoxy-phenyl]-2-methoxy-phenyl]adamantane-1-carboxamide Formula: C36H44N2O4 MolecularWeight: 568.74556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)OC)NC(=O)C67CC8CC(C6)CC(C8)C7

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)OC)NC(=O)C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C36H44N2O4/c1-41-31-13-27(3-5-29(31)37-33(39)35-15-21-7-22(16-35)9-23(8-21)17-35)28-4-6-30(32(14-28)42-2)38-34(40)36-18-24-10-25(19-36)12-26(11-24)20-36/h3-6,13-14,21-26H,7-12,15-20H2,1-2H3,(H,37,39)(H,38,40)