5-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 5-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 5-[1-(3-quinolylmethyl)pyrrol-2-yl]cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 5-[1-(3-quinolinylmethyl)-2-pyrrolyl]-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 5-[1-(quinolin-3-ylmethyl)pyrrol-2-yl]cyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 5-[1-(3-quinolylmethyl)pyrrol-2-yl]cyclohexa-1,5-diene-1-carboxylic acid Formula: C21H18N2O2 MolecularWeight: 330.37982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC(=C1)C(=O)O)C2=CC=CN2CC3=CC4=CC=CC=C4N=C3

Isomeric SMILES

C1CC(=CC(=C1)C(=O)O)C2=CC=CN2CC3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H18N2O2/c24-21(25)18-7-3-6-17(12-18)20-9-4-10-23(20)14-15-11-16-5-1-2-8-19(16)22-13-15/h1-2,4-5,7-13H,3,6,14H2,(H,24,25)