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

Systemtic Name: methyl 4-[(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]benzoate Openeye Name: methyl 4-[[9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate CAS Name: 4-[[9-methoxy-7-(3-quinolinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]benzoate Traditional Name: 4-[[9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoic acid methyl ester Formula: C28H26N2O4 MolecularWeight: 454.51704

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=C(C=C3)C(=O)OC)C4=CC5=CC=CC=C5N=C4

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)CC3=CC=C(C=C3)C(=O)OC)C4=CC5=CC=CC=C5N=C4

InChI

InChI=1S/C28H26N2O4/c1-32-26-15-22(23-13-21-5-3-4-6-25(21)29-16-23)14-24-18-30(11-12-34-27(24)26)17-19-7-9-20(10-8-19)28(31)33-2/h3-10,13-16H,11-12,17-18H2,1-2H3