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

Systemtic Name: 2-methyl-3-(phenylcarbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Openeye Name: 3-benzoyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate CAS Name: 3-benzoyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate IUPAC Name: 3-benzoyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylate Traditional Name: 3-benzoyl-2-methyl-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylate Formula: C18H18NO3- MolecularWeight: 296.34042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2CCCCC(C2=C1)C(=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N2CCCCC(C2=C1)C(=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19NO3/c1-12-11-15-14(18(21)22)9-5-6-10-19(15)16(12)17(20)13-7-3-2-4-8-13/h2-4,7-8,11,14H,5-6,9-10H2,1H3,(H,21,22)/p-1