4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol

Systemtic Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol Openeye Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol IUPAC Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-2-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol Traditional Name: 4-(homoveratrylamino)-2-phenyl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2CC(OC3=CC=CC=C3C2O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2CC(OC3=CC=CC=C3C2O)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H29NO4/c1-29-23-13-12-18(16-25(23)30-2)14-15-27-21-17-24(19-8-4-3-5-9-19)31-22-11-7-6-10-20(22)26(21)28/h3-13,16,21,24,26-28H,14-15,17H2,1-2H3