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

Systemtic Name: 4-[[(E)-4-phenylmethoxybut-2-enyl]-(phenylmethyl)carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Openeye Name: 4-[benzyl-[(E)-4-benzyloxybut-2-enyl]carbamoyl]cyclobutane-1,2,3-tricarboxylic acid CAS Name: 4-[oxo-[[(E)-4-phenylmethoxybut-2-enyl]-(phenylmethyl)amino]methyl]cyclobutane-1,2,3-tricarboxylic acid IUPAC Name: 4-[benzyl-[(E)-4-phenylmethoxybut-2-enyl]carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Traditional Name: 4-[[(E)-4-benzoxybut-2-enyl]-benzyl-carbamoyl]cyclobutane-1,2,3-tricarboxylic acid Formula: C26H27NO8 MolecularWeight: 481.49448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC=CCOCC2=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/COCC2=CC=CC=C2)C(=O)C3C(C(C3C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C26H27NO8/c28-23(19-20(24(29)30)22(26(33)34)21(19)25(31)32)27(15-17-9-3-1-4-10-17)13-7-8-14-35-16-18-11-5-2-6-12-18/h1-12,19-22H,13-16H2,(H,29,30)(H,31,32)(H,33,34)/b8-7+