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

Systemtic Name: cyclobutane-1,2,3-tricarboxylic acid; N-[(E)-4-phenoxybut-2-enyl]-N-(phenylmethyl)methanamide Openeye Name: N-benzyl-N-[(E)-4-phenoxybut-2-enyl]formamide; cyclobutane-1,2,3-tricarboxylic acid CAS Name: cyclobutane-1,2,3-tricarboxylic acid; N-[(E)-4-phenoxybut-2-enyl]-N-(phenylmethyl)formamide IUPAC Name: N-benzyl-N-[(E)-4-phenoxybut-2-enyl]formamide; cyclobutane-1,2,3-tricarboxylic acid Traditional Name: N-benzyl-N-[(E)-4-phenoxybut-2-enyl]formamide; cyclobutane-1,2,3-tricarboxylic acid Formula: C25H27NO8 MolecularWeight: 469.48378

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C1C(=O)O)C(=O)O)C(=O)O.C1=CC=C(C=C1)CN(CC=CCOC2=CC=CC=C2)C=O

Isomeric SMILES

C1C(C(C1C(=O)O)C(=O)O)C(=O)O.C1=CC=C(C=C1)CN(C/C=C/COC2=CC=CC=C2)C=O

InChI

InChI=1S/C18H19NO2.C7H8O6/c20-16-19(15-17-9-3-1-4-10-17)13-7-8-14-21-18-11-5-2-6-12-18;8-5(9)2-1-3(6(10)11)4(2)7(12)13/h1-12,16H,13-15H2;2-4H,1H2,(H,8,9)(H,10,11)(H,12,13)/b8-7+;