N-[2-[1-[3-(2-methoxy-4-prop-2-enyl-phenoxy)propyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[1-[3-(2-methoxy-4-prop-2-enyl-phenoxy)propyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[1-[3-(4-allyl-2-methoxy-phenoxy)propyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2-benzimidazolyl]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[1-[3-(4-allyl-2-methoxy-phenoxy)propyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Formula: C33H41N3O3 MolecularWeight: 527.69694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCCCN2C3=CC=CC=C3N=C2CCNC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCCCN2C3=CC=CC=C3N=C2CCNC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C33H41N3O3/c1-3-7-23-10-11-29(30(19-23)38-2)39-15-6-14-36-28-9-5-4-8-27(28)35-31(36)12-13-34-32(37)33-20-24-16-25(21-33)18-26(17-24)22-33/h3-5,8-11,19,24-26H,1,6-7,12-18,20-22H2,2H3,(H,34,37)