3-(4-bromophenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid

Systemtic Name: 3-(4-bromophenyl)carbonyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Openeye Name: 3-(4-bromobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid CAS Name: 3-[(4-bromophenyl)-oxomethyl]-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid IUPAC Name: 3-(4-bromobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-9-carboxylic acid Traditional Name: 3-(4-bromobenzoyl)-6,7,8,9-tetrahydro-5H-pyrrol[1,2-a]azepine-9-carboxylic acid Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2C(=CC=C2C(=O)C3=CC=C(C=C3)Br)C(C1)C(=O)O

Isomeric SMILES

C1CCN2C(=CC=C2C(=O)C3=CC=C(C=C3)Br)C(C1)C(=O)O

InChI

InChI=1S/C17H16BrNO3/c18-12-6-4-11(5-7-12)16(20)15-9-8-14-13(17(21)22)3-1-2-10-19(14)15/h4-9,13H,1-3,10H2,(H,21,22)