2-[(4-chloranyl-1H-pyrrol-2-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(4-chloranyl-1H-pyrrol-2-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(4-chloro-1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[(4-chloro-1H-pyrrol-2-yl)-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(4-chloro-1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(4-chloro-1H-pyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H13ClN2O3 MolecularWeight: 304.72832

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC(=CN3)Cl)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3=CC(=CN3)Cl)C(=O)O

InChI

InChI=1S/C15H13ClN2O3/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)