2-[[(E)-3-(4-bromophenyl)-2-[(4-tert-butylphenyl)carbonylamino]prop-2-enoyl]amino]ethanoate

Systemtic Name: 2-[[(E)-3-(4-bromophenyl)-2-[(4-tert-butylphenyl)carbonylamino]prop-2-enoyl]amino]ethanoate Openeye Name: 2-[[(E)-3-(4-bromophenyl)-2-[(4-tert-butylbenzoyl)amino]prop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-3-(4-bromophenyl)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-oxoprop-2-enyl]amino]acetate IUPAC Name: 2-[[(E)-3-(4-bromophenyl)-2-[(4-tert-butylbenzoyl)amino]prop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-3-(4-bromophenyl)-2-[(4-tert-butylbenzoyl)amino]acryloyl]amino]acetate Formula: C22H22BrN2O4- MolecularWeight: 458.32508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Br)C(=O)NCC(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=C(C=C2)Br)/C(=O)NCC(=O)[O-]

InChI

InChI=1S/C22H23BrN2O4/c1-22(2,3)16-8-6-15(7-9-16)20(28)25-18(21(29)24-13-19(26)27)12-14-4-10-17(23)11-5-14/h4-12H,13H2,1-3H3,(H,24,29)(H,25,28)(H,26,27)/p-1/b18-12+