methyl 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonyl-prop-2-enyl]-(2-cyanoethanoyl)amino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonyl-prop-2-enyl]-(2-cyanoethanoyl)amino]-3-methyl-pentanoate Openeye Name: methyl 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonyl-allyl]-(2-cyanoacetyl)amino]-3-methyl-pentanoate CAS Name: 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonylprop-2-enyl]-(2-cyano-1-oxoethyl)amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonylprop-2-enyl]-(2-cyanoacetyl)amino]-3-methylpentanoate Traditional Name: 2-[[(E)-3-(4-bromophenyl)-2-carbomethoxy-allyl]-(2-cyanoacetyl)amino]-3-methyl-valeric acid methyl ester Formula: C21H25BrN2O5 MolecularWeight: 465.3376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)N(CC(=CC1=CC=C(C=C1)Br)C(=O)OC)C(=O)CC#N

Isomeric SMILES

CCC(C)C(C(=O)OC)N(C/C(=C\C1=CC=C(C=C1)Br)/C(=O)OC)C(=O)CC#N

InChI

InChI=1S/C21H25BrN2O5/c1-5-14(2)19(21(27)29-4)24(18(25)10-11-23)13-16(20(26)28-3)12-15-6-8-17(22)9-7-15/h6-9,12,14,19H,5,10,13H2,1-4H3/b16-12+