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

Systemtic Name: 7-bromanyl-6-methyl-5-(4-methylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 7-bromo-6-methyl-5-(4-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 7-bromo-6-methyl-5-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 7-bromo-6-methyl-5-(4-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 7-bromo-6-methyl-5-p-toluoyl-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/c1-9-3-5-11(6-4-9)16(20)14-10(2)13(18)15-12(17(21)22)7-8-19(14)15/h3-6,12H,7-8H2,1-2H3,(H,21,22)