(phenylmethyl) 2-[[2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]ethanoate Openeye Name: benzyl 2-[[2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]acetate CAS Name: 2-[[2-benzamido-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]acetate Traditional Name: 2-[[2-benzamido-3-(4-bromophenyl)acryloyl]amino]acetic acid benzyl ester Formula: C25H21BrN2O4 MolecularWeight: 493.34924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CNC(=O)C(=CC2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CNC(=O)C(=CC2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H21BrN2O4/c26-21-13-11-18(12-14-21)15-22(28-24(30)20-9-5-2-6-10-20)25(31)27-16-23(29)32-17-19-7-3-1-4-8-19/h1-15H,16-17H2,(H,27,31)(H,28,30)