tert-butyl 4-[(E)-3-(4-ethoxycarbonyl-1-ethyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-3-(4-ethoxycarbonyl-1-ethyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-(4-ethoxycarbonyl-1-ethyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(4-ethoxycarbonyl-1-ethyl-2,5-dimethyl-3-pyrrolyl)-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-(4-ethoxycarbonyl-1-ethyl-2,5-dimethylpyrrol-3-yl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(4-carbethoxy-1-ethyl-2,5-dimethyl-pyrrol-3-yl)acryloyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H35N3O5 MolecularWeight: 433.5411

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=C1C)C(=O)OCC)C=CC(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C23H35N3O5/c1-8-26-16(3)18(20(17(26)4)21(28)30-9-2)10-11-19(27)24-12-14-25(15-13-24)22(29)31-23(5,6)7/h10-11H,8-9,12-15H2,1-7H3/b11-10+