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

Systemtic Name: N-[4-[[4-(1-adamantylcarbonylamino)-3-methoxy-phenyl]methyl]-2-methoxy-phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[[4-(adamantane-1-carbonylamino)-3-methoxy-phenyl]methyl]-2-methoxy-phenyl]adamantane-1-carboxamide CAS Name: N-[4-[[4-[[1-adamantyl(oxo)methyl]amino]-3-methoxyphenyl]methyl]-2-methoxyphenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[[4-(adamantane-1-carbonylamino)-3-methoxyphenyl]methyl]-2-methoxyphenyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(adamantane-1-carbonylamino)-3-methoxy-benzyl]-2-methoxy-phenyl]adamantane-1-carboxamide Formula: C37H46N2O4 MolecularWeight: 582.77214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC2=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)CC2=CC(=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)OC)NC(=O)C67CC8CC(C6)CC(C8)C7

InChI

InChI=1S/C37H46N2O4/c1-42-32-14-22(3-5-30(32)38-34(40)36-16-24-8-25(17-36)10-26(9-24)18-36)7-23-4-6-31(33(15-23)43-2)39-35(41)37-19-27-11-28(20-37)13-29(12-27)21-37/h3-6,14-15,24-29H,7-13,16-21H2,1-2H3,(H,38,40)(H,39,41)