2-[[(E)-2-methoxycarbonyl-3-(4-methoxycarbonylphenyl)prop-2-enyl]-(3-oxidanylidenebutanoyl)amino]-2-phenyl-propanoic acid

Systemtic Name: 2-[[(E)-2-methoxycarbonyl-3-(4-methoxycarbonylphenyl)prop-2-enyl]-(3-oxidanylidenebutanoyl)amino]-2-phenyl-propanoic acid Openeye Name: 2-[[(E)-2-methoxycarbonyl-3-(4-methoxycarbonylphenyl)allyl]-(3-oxobutanoyl)amino]-2-phenyl-propanoic acid CAS Name: 2-[1,3-dioxobutyl-[(E)-2-methoxycarbonyl-3-(4-methoxycarbonylphenyl)prop-2-enyl]amino]-2-phenylpropanoic acid IUPAC Name: 2-[[(E)-2-methoxycarbonyl-3-(4-methoxycarbonylphenyl)prop-2-enyl]-(3-oxobutanoyl)amino]-2-phenylpropanoic acid Traditional Name: 2-[acetoacetyl-[(E)-2-carbomethoxy-3-(4-carbomethoxyphenyl)allyl]amino]-2-phenyl-propionic acid Formula: C26H27NO8 MolecularWeight: 481.49448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N(CC(=CC1=CC=C(C=C1)C(=O)OC)C(=O)OC)C(C)(C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(=O)CC(=O)N(C/C(=C\C1=CC=C(C=C1)C(=O)OC)/C(=O)OC)C(C)(C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C26H27NO8/c1-17(28)14-22(29)27(26(2,25(32)33)21-8-6-5-7-9-21)16-20(24(31)35-4)15-18-10-12-19(13-11-18)23(30)34-3/h5-13,15H,14,16H2,1-4H3,(H,32,33)/b20-15+