4-[[(E)-4-phenoxybut-2-enyl]-(phenylmethyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid

Systemtic Name: 4-[[(E)-4-phenoxybut-2-enyl]-(phenylmethyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Openeye Name: 4-[benzyl-[(E)-4-phenoxybut-2-enyl]carbamoyl]cyclobutane-1,2,3-tricarboxylic acid CAS Name: 4-[oxo-[[(E)-4-phenoxybut-2-enyl]-(phenylmethyl)amino]methyl]cyclobutane-1,2,3-tricarboxylic acid IUPAC Name: 4-[benzyl-[(E)-4-phenoxybut-2-enyl]carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Traditional Name: 4-[benzyl-[(E)-4-phenoxybut-2-enyl]carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Formula: C25H25NO8 MolecularWeight: 467.4679

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC=CCOC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(C/C=C/COC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C25H25NO8/c27-22(18-19(23(28)29)21(25(32)33)20(18)24(30)31)26(15-16-9-3-1-4-10-16)13-7-8-14-34-17-11-5-2-6-12-17/h1-12,18-21H,13-15H2,(H,28,29)(H,30,31)(H,32,33)/b8-7+