tert-butyl 4-[5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-2-methoxy-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-2-methoxy-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-2-methoxy-phenyl]piperazine-1-carboxylate CAS Name: 4-[5-[[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-2-methoxyphenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-2-methoxyphenyl]piperazine-1-carboxylate Traditional Name: 4-[5-[[(E)-3-(4-bromophenyl)acryloyl]amino]-2-methoxy-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H30BrN3O4 MolecularWeight: 516.4274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC(=C2)NC(=O)C=CC3=CC=C(C=C3)Br)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC(=C2)NC(=O)/C=C/C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C25H30BrN3O4/c1-25(2,3)33-24(31)29-15-13-28(14-16-29)21-17-20(10-11-22(21)32-4)27-23(30)12-7-18-5-8-19(26)9-6-18/h5-12,17H,13-16H2,1-4H3,(H,27,30)/b12-7+