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

Systemtic Name: methyl 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonyl-prop-2-enyl]-(3-ethoxy-3-oxidanylidene-propanoyl)amino]-3-methyl-pentanoate Openeye Name: methyl 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonyl-allyl]-(3-ethoxy-3-oxo-propanoyl)amino]-3-methyl-pentanoate CAS Name: 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonylprop-2-enyl]-(3-ethoxy-1,3-dioxopropyl)amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonylprop-2-enyl]-(3-ethoxy-3-oxopropanoyl)amino]-3-methylpentanoate Traditional Name: 2-[[(E)-3-(4-bromophenyl)-2-carbomethoxy-allyl]-(3-ethoxy-3-keto-propanoyl)amino]-3-methyl-valeric acid methyl ester Formula: C23H30BrNO7 MolecularWeight: 512.3908

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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)OCC

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)OCC

InChI

InChI=1S/C23H30BrNO7/c1-6-15(3)21(23(29)31-5)25(19(26)13-20(27)32-7-2)14-17(22(28)30-4)12-16-8-10-18(24)11-9-16/h8-12,15,21H,6-7,13-14H2,1-5H3/b17-12+