1-[4-[(3-butyl-5-chloranyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid

Systemtic Name: 1-[4-[(3-butyl-5-chloranyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid Openeye Name: 1-[4-[(3-butyl-5-chloro-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid CAS Name: 1-[4-[(3-butyl-5-chloro-1,2,4-triazol-1-yl)methyl]phenyl]-2-pyrrolecarboxylic acid IUPAC Name: 1-[4-[(3-butyl-5-chloro-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid Traditional Name: 1-[4-[(3-butyl-5-chloro-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid Formula: C18H19ClN4O2 MolecularWeight: 358.82206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)Cl)CC2=CC=C(C=C2)N3C=CC=C3C(=O)O

Isomeric SMILES

CCCCC1=NN(C(=N1)Cl)CC2=CC=C(C=C2)N3C=CC=C3C(=O)O

InChI

InChI=1S/C18H19ClN4O2/c1-2-3-6-16-20-18(19)23(21-16)12-13-7-9-14(10-8-13)22-11-4-5-15(22)17(24)25/h4-5,7-11H,2-3,6,12H2,1H3,(H,24,25)