4-[[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol

Systemtic Name: 4-[[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol Openeye Name: 4-[[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol CAS Name: 4-[[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol IUPAC Name: 4-[[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol Traditional Name: 4-[[7-(3,4-dimethoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CC=C(C=C4)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC3=C(C(=C2)OC)OCCN(C3)CC4=CC=C(C=C4)O)OC

InChI

InChI=1S/C25H27NO5/c1-28-22-9-6-18(13-23(22)29-2)19-12-20-16-26(15-17-4-7-21(27)8-5-17)10-11-31-25(20)24(14-19)30-3/h4-9,12-14,27H,10-11,15-16H2,1-3H3