methyl 2-[2-[(E)-3-(4-bromophenyl)prop-2-enoyl]oxyethanoylamino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[2-[(E)-3-(4-bromophenyl)prop-2-enoyl]oxyethanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-[(E)-3-(4-bromophenyl)prop-2-enoyl]oxyacetyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[(E)-3-(4-bromophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(E)-3-(4-bromophenyl)prop-2-enoyl]oxyacetyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-[(E)-3-(4-bromophenyl)acryloyl]oxyacetyl]amino]-4-methyl-valeric acid methyl ester Formula: C18H22BrNO5 MolecularWeight: 412.27498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)COC(=O)C=CC1=CC=C(C=C1)Br

Isomeric SMILES

CC(C)CC(C(=O)OC)NC(=O)COC(=O)/C=C/C1=CC=C(C=C1)Br

InChI

InChI=1S/C18H22BrNO5/c1-12(2)10-15(18(23)24-3)20-16(21)11-25-17(22)9-6-13-4-7-14(19)8-5-13/h4-9,12,15H,10-11H2,1-3H3,(H,20,21)/b9-6+