propan-2-yl 3-(phenylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate

Systemtic Name: propan-2-yl 3-(phenylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: isopropyl 3-benzoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-benzoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-benzoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-benzoyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid isopropyl ester Formula: C20H23NO3 MolecularWeight: 325.40152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCCCN2C1=CC=C2C(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)C1CCCCN2C1=CC=C2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO3/c1-14(2)24-20(23)16-10-6-7-13-21-17(16)11-12-18(21)19(22)15-8-4-3-5-9-15/h3-5,8-9,11-12,14,16H,6-7,10,13H2,1-2H3