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(E)-but-2-enedioic acid; 1-methyl-4-(4-methylphenyl)-3-phenyl-piperidine

(E)-but-2-enedioic acid; 1-methyl-4-(4-methylphenyl)-3-phenyl-piperidine

Systemtic Name:(E)-but-2-enedioic acid; 1-methyl-4-(4-methylphenyl)-3-phenyl-piperidine
Openeye Name:fumaric acid; 1-methyl-3-phenyl-4-(p-tolyl)piperidine
CAS Name:(E)-2-butenedioic acid; 1-methyl-4-(4-methylphenyl)-3-phenylpiperidine
IUPAC Name:(E)-but-2-enedioic acid; 1-methyl-4-(4-methylphenyl)-3-phenylpiperidine
Traditional Name:fumaric acid; 1-methyl-3-phenyl-4-(p-tolyl)piperidine
Formula: C23H27NO4
MolecularWeight: 381.46478
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CCN(CC2C3=CC=CC=C3)C.C(=CC(=O)O)C(=O)O


Isomeric SMILES

CC1=CC=C(C=C1)C2CCN(CC2C3=CC=CC=C3)C.C(=C/C(=O)O)\C(=O)O


InChI

InChI=1S/C19H23N.C4H4O4/c1-15-8-10-17(11-9-15)18-12-13-20(2)14-19(18)16-6-4-3-5-7-16;5-3(6)1-2-4(7)8/h3-11,18-19H,12-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+


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