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

Systemtic Name: methyl 4-[[9-methoxy-7-(4-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate Openeye Name: methyl 4-[[9-methoxy-7-(4-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate CAS Name: 4-[[9-methoxy-7-(4-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[9-methoxy-7-(4-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate Traditional Name: 4-[[9-methoxy-7-(4-methoxyphenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid methyl ester Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO5/c1-29-23-10-8-19(9-11-23)21-14-22-17-27(12-13-32-25(22)24(15-21)30-2)16-18-4-6-20(7-5-18)26(28)31-3/h4-11,14-15H,12-13,16-17H2,1-3H3