(3R)-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-(4-bromo-1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-(4-bromo-1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-(4-bromo-1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C15H12BrN2O3- MolecularWeight: 348.17138

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC(=CN3)Br)C(=O)[O-]

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)C(=O)C3=CC(=CN3)Br)C(=O)[O-]

InChI

InChI=1S/C15H13BrN2O3/c16-11-6-12(17-7-11)14(19)18-8-10-4-2-1-3-9(10)5-13(18)15(20)21/h1-4,6-7,13,17H,5,8H2,(H,20,21)/p-1/t13-/m1/s1