1-methyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3-(pyridin-4-ylmethoxy)pyrrole-2-carboxylic acid

Systemtic Name: 1-methyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-3-(pyridin-4-ylmethoxy)pyrrole-2-carboxylic acid Openeye Name: 4-(4-benzylpiperazine-1-carbonyl)-1-methyl-3-(4-pyridylmethoxy)pyrrole-2-carboxylic acid CAS Name: 1-methyl-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-3-(pyridin-4-ylmethoxy)-2-pyrrolecarboxylic acid IUPAC Name: 4-(4-benzylpiperazine-1-carbonyl)-1-methyl-3-(pyridin-4-ylmethoxy)pyrrole-2-carboxylic acid Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-1-methyl-3-(4-pyridylmethoxy)pyrrole-2-carboxylic acid Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C1C(=O)O)OCC2=CC=NC=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C(=C1C(=O)O)OCC2=CC=NC=C2)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4/c1-26-16-20(22(21(26)24(30)31)32-17-19-7-9-25-10-8-19)23(29)28-13-11-27(12-14-28)15-18-5-3-2-4-6-18/h2-10,16H,11-15,17H2,1H3,(H,30,31)