ethyl 10-methoxy-5-(2-methylpropanoyl)-6H-benzo[b][1,4]benzoxazepine-3-carboxylate

Systemtic Name: ethyl 10-methoxy-5-(2-methylpropanoyl)-6H-benzo[b][1,4]benzoxazepine-3-carboxylate Openeye Name: ethyl 10-methoxy-5-(2-methylpropanoyl)-6H-benzo[b][1,4]benzoxazepine-3-carboxylate CAS Name: 10-methoxy-5-(2-methyl-1-oxopropyl)-6H-benzo[b][1,4]benzoxazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 10-methoxy-5-(2-methylpropanoyl)-6H-benzo[b][1,4]benzoxazepine-3-carboxylate Traditional Name: 5-isobutyryl-10-methoxy-6H-benzo[b][1,4]benzoxazepine-3-carboxylic acid ethyl ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5/c1-5-26-21(24)14-9-10-17-16(11-14)22(20(23)13(2)3)12-15-7-6-8-18(25-4)19(15)27-17/h6-11,13H,5,12H2,1-4H3