propan-2-yl 2-ethyl-3-(phenylcarbonyl)-5,6,7,8-tetrahydro-1H-pyrrolo[1,2-a]azepine-8-carboxylate

Systemtic Name: propan-2-yl 2-ethyl-3-(phenylcarbonyl)-5,6,7,8-tetrahydro-1H-pyrrolo[1,2-a]azepine-8-carboxylate Openeye Name: isopropyl 3-benzoyl-2-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[1,2-a]azepine-8-carboxylate CAS Name: 3-benzoyl-2-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[1,2-a]azepine-8-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-benzoyl-2-ethyl-5,6,7,8-tetrahydro-1H-pyrrolo[1,2-a]azepine-8-carboxylate Traditional Name: 3-benzoyl-2-ethyl-5,6,7,8-tetrahydro-1H-pyrrol[1,2-a]azepine-8-carboxylic acid isopropyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2CCCC(C=C2C1)C(=O)OC(C)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(N2CCCC(C=C2C1)C(=O)OC(C)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO3/c1-4-16-13-19-14-18(22(25)26-15(2)3)11-8-12-23(19)20(16)21(24)17-9-6-5-7-10-17/h5-7,9-10,14-15,18H,4,8,11-13H2,1-3H3