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

Systemtic Name: 3-[(4-cyanophenyl)methoxy]-1-methyl-4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-pyrrole-2-carboxylic acid Openeye Name: 4-(4-benzylpiperazine-1-carbonyl)-3-[(4-cyanophenyl)methoxy]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 3-[(4-cyanophenyl)methoxy]-1-methyl-4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-pyrrolecarboxylic acid IUPAC Name: 4-(4-benzylpiperazine-1-carbonyl)-3-[(4-cyanophenyl)methoxy]-1-methylpyrrole-2-carboxylic acid Traditional Name: 4-(4-benzylpiperazine-1-carbonyl)-3-(4-cyanobenzyl)oxy-1-methyl-pyrrole-2-carboxylic acid Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O4/c1-28-17-22(24(23(28)26(32)33)34-18-21-9-7-19(15-27)8-10-21)25(31)30-13-11-29(12-14-30)16-20-5-3-2-4-6-20/h2-10,17H,11-14,16,18H2,1H3,(H,32,33)