ethyl 10-methoxy-5-(3-methylbutanoyl)-6H-benzo[b][1,4]benzoxazepine-3-carboxylate

Systemtic Name: ethyl 10-methoxy-5-(3-methylbutanoyl)-6H-benzo[b][1,4]benzoxazepine-3-carboxylate Openeye Name: ethyl 10-methoxy-5-(3-methylbutanoyl)-6H-benzo[b][1,4]benzoxazepine-3-carboxylate CAS Name: 10-methoxy-5-(3-methyl-1-oxobutyl)-6H-benzo[b][1,4]benzoxazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 10-methoxy-5-(3-methylbutanoyl)-6H-benzo[b][1,4]benzoxazepine-3-carboxylate Traditional Name: 5-isovaleryl-10-methoxy-6H-benzo[b][1,4]benzoxazepine-3-carboxylic acid ethyl ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)OC3=C(CN2C(=O)CC(C)C)C=CC=C3OC

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)OC3=C(CN2C(=O)CC(C)C)C=CC=C3OC

InChI

InChI=1S/C22H25NO5/c1-5-27-22(25)15-9-10-18-17(12-15)23(20(24)11-14(2)3)13-16-7-6-8-19(26-4)21(16)28-18/h6-10,12,14H,5,11,13H2,1-4H3