(E)-but-2-enedioic acid; 7-[2-(4-methylphenyl)-2-phenylmethoxy-piperidin-1-yl]heptanoate

Systemtic Name: (E)-but-2-enedioic acid; 7-[2-(4-methylphenyl)-2-phenylmethoxy-piperidin-1-yl]heptanoate Openeye Name: 7-[2-benzyloxy-2-(p-tolyl)-1-piperidyl]heptanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; 7-[2-(4-methylphenyl)-2-phenylmethoxy-1-piperidinyl]heptanoate IUPAC Name: (E)-but-2-enedioic acid; 7-[2-(4-methylphenyl)-2-phenylmethoxypiperidin-1-yl]heptanoate Traditional Name: 7-[2-benzoxy-2-(p-tolyl)piperidino]enanthate; fumaric acid Formula: C30H38NO7- MolecularWeight: 524.62522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCCCN2CCCCCCC(=O)[O-])OCC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2(CCCCN2CCCCCCC(=O)[O-])OCC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C26H35NO3.C4H4O4/c1-22-14-16-24(17-15-22)26(30-21-23-11-5-4-6-12-23)18-8-10-20-27(26)19-9-3-2-7-13-25(28)29;5-3(6)1-2-4(7)8/h4-6,11-12,14-17H,2-3,7-10,13,18-21H2,1H3,(H,28,29);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+