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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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