methyl 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylate

Systemtic Name: methyl 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylate Openeye Name: methyl 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylate CAS Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylate Traditional Name: 1-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]pyrrole-2-carboxylic acid methyl ester Formula: C23H30N4O2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O2/c1-4-6-10-21-24-22(11-7-5-2)27(25-21)17-18-12-14-19(15-13-18)26-16-8-9-20(26)23(28)29-3/h8-9,12-16H,4-7,10-11,17H2,1-3H3