2,3-bis[[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]amino]propanoic acid

Systemtic Name: 2,3-bis[[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]amino]propanoic acid Openeye Name: 2,3-bis[[(E)-3-(3,4-diacetoxyphenyl)prop-2-enoyl]amino]propanoic acid CAS Name: 2,3-bis[[(E)-3-(3,4-diacetyloxyphenyl)-1-oxoprop-2-enyl]amino]propanoic acid IUPAC Name: 2,3-bis[[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]amino]propanoic acid Traditional Name: 2,3-bis[[(E)-3-(3,4-diacetoxyphenyl)acryloyl]amino]propionic acid Formula: C29H28N2O12 MolecularWeight: 596.53882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=CC(=O)NCC(C(=O)O)NC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)NCC(C(=O)O)NC(=O)/C=C/C2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C29H28N2O12/c1-16(32)40-23-9-5-20(13-25(23)42-18(3)34)7-11-27(36)30-15-22(29(38)39)31-28(37)12-8-21-6-10-24(41-17(2)33)26(14-21)43-19(4)35/h5-14,22H,15H2,1-4H3,(H,30,36)(H,31,37)(H,38,39)/b11-7+,12-8+