1-(4-bromanyl-1-propan-2-yl-pyrrol-2-yl)carbonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(4-bromanyl-1-propan-2-yl-pyrrol-2-yl)carbonylpiperidine-3-carboxylic acid Openeye Name: 1-(4-bromo-1-isopropyl-pyrrole-2-carbonyl)piperidine-3-carboxylic acid CAS Name: 1-[(4-bromo-1-propan-2-yl-2-pyrrolyl)-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(4-bromo-1-propan-2-ylpyrrole-2-carbonyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-bromo-1-isopropyl-pyrrole-2-carbonyl)nipecotic acid Formula: C14H19BrN2O3 MolecularWeight: 343.21626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=C1C(=O)N2CCCC(C2)C(=O)O)Br

Isomeric SMILES

CC(C)N1C=C(C=C1C(=O)N2CCCC(C2)C(=O)O)Br

InChI

InChI=1S/C14H19BrN2O3/c1-9(2)17-8-11(15)6-12(17)13(18)16-5-3-4-10(7-16)14(19)20/h6,8-10H,3-5,7H2,1-2H3,(H,19,20)