(phenylmethyl) 2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) 2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl 2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-4-methyl-pentanoate CAS Name: 2-[[(E)-2-benzamido-3-(4-bromophenyl)-1-oxoprop-2-enyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(E)-2-benzamido-3-(4-bromophenyl)prop-2-enoyl]amino]-4-methylpentanoate Traditional Name: 2-[[(E)-2-benzamido-3-(4-bromophenyl)acryloyl]amino]-4-methyl-valeric acid benzyl ester Formula: C29H29BrN2O4 MolecularWeight: 549.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(=CC2=CC=C(C=C2)Br)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)/C(=C\C2=CC=C(C=C2)Br)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H29BrN2O4/c1-20(2)17-26(29(35)36-19-22-9-5-3-6-10-22)32-28(34)25(18-21-13-15-24(30)16-14-21)31-27(33)23-11-7-4-8-12-23/h3-16,18,20,26H,17,19H2,1-2H3,(H,31,33)(H,32,34)/b25-18+