ethyl 5-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[4-(2-ethoxyphenyl)piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(2-ethoxyphenyl)-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-(4-o-phenetylpiperazine-1-carbonyl)-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C(=C(N3)C)C(=O)OCC)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C3=C(C(=C(N3)C)C(=O)OCC)C

InChI

InChI=1S/C22H29N3O4/c1-5-28-18-10-8-7-9-17(18)24-11-13-25(14-12-24)21(26)20-15(3)19(16(4)23-20)22(27)29-6-2/h7-10,23H,5-6,11-14H2,1-4H3