N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(3-methoxy-4-phenylmethoxy-phenyl)methanamine

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(3-methoxy-4-phenylmethoxy-phenyl)methanamine Openeye Name: 1-(4-benzyloxy-3-methoxy-phenyl)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]methanamine CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine Traditional Name: (4-benzoxy-3-methoxy-benzyl)-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]amine Formula: C25H26ClNO4 MolecularWeight: 439.93124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCC2=CC3=C(C(=C2)Cl)OCCCO3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)CNCC2=CC3=C(C(=C2)Cl)OCCCO3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26ClNO4/c1-28-23-13-19(8-9-22(23)31-17-18-6-3-2-4-7-18)15-27-16-20-12-21(26)25-24(14-20)29-10-5-11-30-25/h2-4,6-9,12-14,27H,5,10-11,15-17H2,1H3