ethyl 4-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-pyrrol-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-pyrrol-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-pyrrole-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-3-pyrrolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(1,3-benzodioxol-5-yl)-2-methyl-5-phenyl-pyrrole-3-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(C(=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C26H27N3O5/c1-3-32-26(31)28-13-11-27(12-14-28)25(30)21-16-22(19-7-5-4-6-8-19)29(18(21)2)20-9-10-23-24(15-20)34-17-33-23/h4-10,15-16H,3,11-14,17H2,1-2H3