4-[3-[bis(2-oxidanyl-2-phenyl-ethyl)amino]butyl]benzamide; (E)-but-2-enedioic acid

Systemtic Name: 4-[3-[bis(2-oxidanyl-2-phenyl-ethyl)amino]butyl]benzamide; (E)-but-2-enedioic acid Openeye Name: 4-[3-[bis(2-hydroxy-2-phenyl-ethyl)amino]butyl]benzamide; fumaric acid CAS Name: 4-[3-[bis(2-hydroxy-2-phenylethyl)amino]butyl]benzamide; (E)-2-butenedioic acid IUPAC Name: 4-[3-[bis(2-hydroxy-2-phenylethyl)amino]butyl]benzamide; (E)-but-2-enedioic acid Traditional Name: 4-[3-[bis(2-hydroxy-2-phenyl-ethyl)amino]butyl]benzamide; fumaric acid Formula: C31H36N2O7 MolecularWeight: 548.62674

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(C=C1)C(=O)N)N(CC(C2=CC=CC=C2)O)CC(C3=CC=CC=C3)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCC1=CC=C(C=C1)C(=O)N)N(CC(C2=CC=CC=C2)O)CC(C3=CC=CC=C3)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C27H32N2O3.C4H4O4/c1-20(12-13-21-14-16-24(17-15-21)27(28)32)29(18-25(30)22-8-4-2-5-9-22)19-26(31)23-10-6-3-7-11-23;5-3(6)1-2-4(7)8/h2-11,14-17,20,25-26,30-31H,12-13,18-19H2,1H3,(H2,28,32);1-2H,(H,5,6)(H,7,8)/b;2-1+