1-[4-[(3,4-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanol

Systemtic Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanol Openeye Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanol CAS Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenylethanol IUPAC Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenylethanol Traditional Name: 2-phenyl-1-(4-veratryl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)ethanol Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3)C(CC4=CC=CC=C4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCOC3=C(C2)C=C(C=C3)C(CC4=CC=CC=C4)O)OC

InChI

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