ethyl 4-[(E)-3-(4-bromophenyl)-2-[(4-tert-butylphenyl)carbonylamino]prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-3-(4-bromophenyl)-2-[(4-tert-butylphenyl)carbonylamino]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-3-(4-bromophenyl)-2-[(4-tert-butylbenzoyl)amino]prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(4-bromophenyl)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(4-bromophenyl)-2-[(4-tert-butylbenzoyl)amino]prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(4-bromophenyl)-2-[(4-tert-butylbenzoyl)amino]acryloyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H32BrN3O4 MolecularWeight: 542.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(=CC2=CC=C(C=C2)Br)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32BrN3O4/c1-5-35-26(34)31-16-14-30(15-17-31)25(33)23(18-19-6-12-22(28)13-7-19)29-24(32)20-8-10-21(11-9-20)27(2,3)4/h6-13,18H,5,14-17H2,1-4H3,(H,29,32)/b23-18+