ethyl (3R)-1-ethyl-8-methoxy-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-3-carboxylate

Systemtic Name: ethyl (3R)-1-ethyl-8-methoxy-2-oxidanylidene-4,5-dihydro-3H-1-benzazepine-3-carboxylate Openeye Name: ethyl (3R)-1-ethyl-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylate CAS Name: (3R)-1-ethyl-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-ethyl-8-methoxy-2-oxo-4,5-dihydro-3H-1-benzazepine-3-carboxylate Traditional Name: (3R)-1-ethyl-2-keto-8-methoxy-4,5-dihydro-3H-1-benzazepine-3-carboxylic acid ethyl ester Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CCC(C1=O)C(=O)OCC)C=CC(=C2)OC

Isomeric SMILES

CCN1C2=C(CC[C@H](C1=O)C(=O)OCC)C=CC(=C2)OC

InChI

InChI=1S/C16H21NO4/c1-4-17-14-10-12(20-3)8-6-11(14)7-9-13(15(17)18)16(19)21-5-2/h6,8,10,13H,4-5,7,9H2,1-3H3/t13-/m1/s1