tris[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl] benzene-1,3,5-tricarboxylate

Systemtic Name: tris[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl] benzene-1,3,5-tricarboxylate Openeye Name: tris[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl] benzene-1,3,5-tricarboxylate CAS Name: benzene-1,3,5-tricarboxylic acid tris[2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]ethyl] ester IUPAC Name: tris[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl] benzene-1,3,5-tricarboxylate Traditional Name: benzene-1,3,5-tricarboxylic acid tris[2-[[(E)-3-phenylacryloyl]amino]ethyl] ester Formula: C42H39N3O9 MolecularWeight: 729.77376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NCCOC(=O)C2=CC(=CC(=C2)C(=O)OCCNC(=O)C=CC3=CC=CC=C3)C(=O)OCCNC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)NCCOC(=O)C2=CC(=CC(=C2)C(=O)OCCNC(=O)/C=C/C3=CC=CC=C3)C(=O)OCCNC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C42H39N3O9/c46-37(19-16-31-10-4-1-5-11-31)43-22-25-52-40(49)34-28-35(41(50)53-26-23-44-38(47)20-17-32-12-6-2-7-13-32)30-36(29-34)42(51)54-27-24-45-39(48)21-18-33-14-8-3-9-15-33/h1-21,28-30H,22-27H2,(H,43,46)(H,44,47)(H,45,48)/b19-16+,20-17+,21-18+