ethyl (11R,11aS)-11-methyl-1-oxidanylidene-3,5,6,11-tetrahydro-2H-pyrrolo[2,1-b][3]benzazepine-11a-carboxylate

Systemtic Name: ethyl (11R,11aS)-11-methyl-1-oxidanylidene-3,5,6,11-tetrahydro-2H-pyrrolo[2,1-b][3]benzazepine-11a-carboxylate Openeye Name: ethyl (11R,11aS)-11-methyl-1-oxo-3,5,6,11-tetrahydro-2H-pyrrolo[2,1-b][3]benzazepine-11a-carboxylate CAS Name: (11R,11aS)-11-methyl-1-oxo-3,5,6,11-tetrahydro-2H-pyrrolo[2,1-b][3]benzazepine-11a-carboxylic acid ethyl ester IUPAC Name: ethyl (11R,11aS)-11-methyl-1-oxo-3,5,6,11-tetrahydro-2H-pyrrolo[2,1-b][3]benzazepine-11a-carboxylate Traditional Name: (11R,11aS)-1-keto-11-methyl-3,5,6,11-tetrahydro-2H-pyrrolo[2,1-b][3]benzazepine-11a-carboxylic acid ethyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12C(C3=CC=CC=C3CCN1CCC2=O)C

Isomeric SMILES

CCOC(=O)[C@@]12[C@@H](C3=CC=CC=C3CCN1CCC2=O)C

InChI

InChI=1S/C17H21NO3/c1-3-21-16(20)17-12(2)14-7-5-4-6-13(14)8-10-18(17)11-9-15(17)19/h4-7,12H,3,8-11H2,1-2H3/t12-,17+/m1/s1