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

Systemtic Name: methyl 4-[(2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]benzoate Openeye Name: methyl 4-[(2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]benzoate CAS Name: 4-[(2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]benzoate Traditional Name: 4-[(2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]benzoic acid methyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC2=C(O1)C=CC(=C2)OC)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1CN(CC2=C(O1)C=CC(=C2)OC)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H25NO4/c1-4-18-14-22(12-15-5-7-16(8-6-15)21(23)25-3)13-17-11-19(24-2)9-10-20(17)26-18/h5-11,18H,4,12-14H2,1-3H3