(E)-but-2-enedioic acid; 1-(2-phenoxyethyl)-4,4-diphenyl-piperidine

Systemtic Name: (E)-but-2-enedioic acid; 1-(2-phenoxyethyl)-4,4-diphenyl-piperidine Openeye Name: fumaric acid; 1-(2-phenoxyethyl)-4,4-diphenyl-piperidine CAS Name: (E)-2-butenedioic acid; 1-(2-phenoxyethyl)-4,4-diphenylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 1-(2-phenoxyethyl)-4,4-diphenylpiperidine Traditional Name: fumaric acid; 1-(2-phenoxyethyl)-4,4-diphenyl-piperidine Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C3=CC=CC=C3)CCOC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C3=CC=CC=C3)CCOC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H27NO.C4H4O4/c1-4-10-22(11-5-1)25(23-12-6-2-7-13-23)16-18-26(19-17-25)20-21-27-24-14-8-3-9-15-24;5-3(6)1-2-4(7)8/h1-15H,16-21H2;1-2H,(H,5,6)(H,7,8)/b;2-1+