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

Systemtic Name: methyl 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonyl-prop-2-enyl]-(3-oxidanylidenebutanoyl)amino]-3-methyl-pentanoate Openeye Name: methyl 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonyl-allyl]-(3-oxobutanoyl)amino]-3-methyl-pentanoate CAS Name: 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonylprop-2-enyl]-(1,3-dioxobutyl)amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonylprop-2-enyl]-(3-oxobutanoyl)amino]-3-methylpentanoate Traditional Name: 2-[acetoacetyl-[(E)-3-(4-bromophenyl)-2-carbomethoxy-allyl]amino]-3-methyl-valeric acid methyl ester Formula: C22H28BrNO6 MolecularWeight: 482.36482

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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(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28BrNO6/c1-6-14(2)20(22(28)30-5)24(19(26)11-15(3)25)13-17(21(27)29-4)12-16-7-9-18(23)10-8-16/h7-10,12,14,20H,6,11,13H2,1-5H3/b17-12+