6-bromanyl-5-(2,4-dimethylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 6-bromanyl-5-(2,4-dimethylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 6-bromo-5-(2,4-dimethylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 6-bromo-5-[(2,4-dimethylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 6-bromo-5-(2,4-dimethylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 6-bromo-5-(2,4-dimethylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C17H16BrNO3 MolecularWeight: 362.21784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)Br)C

InChI

InChI=1S/C17H16BrNO3/c1-9-3-4-11(10(2)7-9)16(20)15-13(18)8-14-12(17(21)22)5-6-19(14)15/h3-4,7-8,12H,5-6H2,1-2H3,(H,21,22)