ethyl 2,5-dimethyl-4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-[4-(m-tolylmethyl)piperazin-1-yl]acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[4-(3-methylbenzyl)piperazino]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CN2CCN(CC2)CC3=CC=CC(=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CN2CCN(CC2)CC3=CC=CC(=C3)C)C)C

InChI

InChI=1S/C23H31N3O3/c1-5-29-23(28)22-18(4)24-17(3)21(22)20(27)15-26-11-9-25(10-12-26)14-19-8-6-7-16(2)13-19/h6-8,13,24H,5,9-12,14-15H2,1-4H3