ethyl 4-[2-(4-methyl-3-pyrrol-1-yl-phenyl)carbonyloxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-methyl-3-pyrrol-1-yl-phenyl)carbonyloxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-methyl-3-pyrrol-1-yl-benzoyl)oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[4-methyl-3-(1-pyrrolyl)phenyl]-oxomethoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methyl-3-pyrrol-1-ylbenzoyl)oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-methyl-3-pyrrol-1-yl-benzoyl)oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)C)N3C=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=C(C=C2)C)N3C=CC=C3

InChI

InChI=1S/C21H25N3O5/c1-3-28-21(27)24-12-10-23(11-13-24)19(25)15-29-20(26)17-7-6-16(2)18(14-17)22-8-4-5-9-22/h4-9,14H,3,10-13,15H2,1-2H3