ethyl 4-[3-ethoxycarbonyl-5-(4-propylphenyl)-1H-pyrrol-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-ethoxycarbonyl-5-(4-propylphenyl)-1H-pyrrol-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-ethoxycarbonyl-5-(4-propylphenyl)-1H-pyrrol-2-yl]piperazine-1-carboxylate CAS Name: 4-[3-ethoxycarbonyl-5-(4-propylphenyl)-1H-pyrrol-2-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-ethoxycarbonyl-5-(4-propylphenyl)-1H-pyrrol-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-carbethoxy-5-(4-propylphenyl)-1H-pyrrol-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC(=C(N2)N3CCN(CC3)C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC(=C(N2)N3CCN(CC3)C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C23H31N3O4/c1-4-7-17-8-10-18(11-9-17)20-16-19(22(27)29-5-2)21(24-20)25-12-14-26(15-13-25)23(28)30-6-3/h8-11,16,24H,4-7,12-15H2,1-3H3