2-butyl-3-(phenylcarbonyl)-5,6,7,8-tetrahydro-1H-pyrrolo[1,2-a]azepine-8-carboxylic acid

Systemtic Name: 2-butyl-3-(phenylcarbonyl)-5,6,7,8-tetrahydro-1H-pyrrolo[1,2-a]azepine-8-carboxylic acid Openeye Name: 3-benzoyl-2-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[1,2-a]azepine-8-carboxylic acid CAS Name: 3-benzoyl-2-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[1,2-a]azepine-8-carboxylic acid IUPAC Name: 3-benzoyl-2-butyl-5,6,7,8-tetrahydro-1H-pyrrolo[1,2-a]azepine-8-carboxylic acid Traditional Name: 3-benzoyl-2-butyl-5,6,7,8-tetrahydro-1H-pyrrol[1,2-a]azepine-8-carboxylic acid Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2CCCC(C=C2C1)C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=C(N2CCCC(C=C2C1)C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO3/c1-2-3-8-16-13-18-14-17(21(24)25)11-7-12-22(18)19(16)20(23)15-9-5-4-6-10-15/h4-6,9-10,14,17H,2-3,7-8,11-13H2,1H3,(H,24,25)