N-[(3,4,5-trimethoxy-2-phenyl-phenyl)methyl]-1-azacyclododecen-2-amine

Systemtic Name: N-[(3,4,5-trimethoxy-2-phenyl-phenyl)methyl]-1-azacyclododecen-2-amine Openeye Name: N-[(3,4,5-trimethoxy-2-phenyl-phenyl)methyl]-1-azacyclododecen-2-amine CAS Name: N-[(3,4,5-trimethoxy-2-phenylphenyl)methyl]-1-azacyclododecen-2-amine IUPAC Name: N-[(3,4,5-trimethoxy-2-phenylphenyl)methyl]-1-azacyclododecen-2-amine Traditional Name: 1-azacyclododecen-2-yl-(3,4,5-trimethoxy-2-phenyl-benzyl)amine Formula: C27H38N2O3 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CNC2=NCCCCCCCCCC2)C3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)CNC2=NCCCCCCCCCC2)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C27H38N2O3/c1-30-23-19-22(20-29-24-17-13-8-6-4-5-7-9-14-18-28-24)25(21-15-11-10-12-16-21)27(32-3)26(23)31-2/h10-12,15-16,19H,4-9,13-14,17-18,20H2,1-3H3,(H,28,29)