(E)-but-2-enedioic acid; 1-methyl-4-(3-phenyl-1H-inden-1-yl)piperidine

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-4-(3-phenyl-1H-inden-1-yl)piperidine Openeye Name: fumaric acid; 1-methyl-4-(3-phenyl-1H-inden-1-yl)piperidine CAS Name: (E)-2-butenedioic acid; 1-methyl-4-(3-phenyl-1H-inden-1-yl)piperidine IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-4-(3-phenyl-1H-inden-1-yl)piperidine Traditional Name: fumaric acid; 1-methyl-4-(3-phenyl-1H-inden-1-yl)piperidine Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2C=C(C3=CC=CC=C23)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCC(CC1)C2C=C(C3=CC=CC=C23)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H23N.C4H4O4/c1-22-13-11-17(12-14-22)21-15-20(16-7-3-2-4-8-16)18-9-5-6-10-19(18)21;5-3(6)1-2-4(7)8/h2-10,15,17,21H,11-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+