(E)-but-2-enedioic acid; 6-[2-methoxy-2,3-bis(4-methylphenyl)piperidin-1-yl]hexanoate

Systemtic Name: (E)-but-2-enedioic acid; 6-[2-methoxy-2,3-bis(4-methylphenyl)piperidin-1-yl]hexanoate Openeye Name: fumaric acid; 6-[2-methoxy-2,3-bis(p-tolyl)-1-piperidyl]hexanoate CAS Name: (E)-2-butenedioic acid; 6-[2-methoxy-2,3-bis(4-methylphenyl)-1-piperidinyl]hexanoate IUPAC Name: (E)-but-2-enedioic acid; 6-[2-methoxy-2,3-bis(4-methylphenyl)piperidin-1-yl]hexanoate Traditional Name: fumaric acid; 6-[2-methoxy-2,3-bis(p-tolyl)piperidino]hexanoate Formula: C30H38NO7- MolecularWeight: 524.62522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CCCN(C2(C3=CC=C(C=C3)C)OC)CCCCCC(=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2CCCN(C2(C3=CC=C(C=C3)C)OC)CCCCCC(=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C26H35NO3.C4H4O4/c1-20-10-14-22(15-11-20)24-8-7-19-27(18-6-4-5-9-25(28)29)26(24,30-3)23-16-12-21(2)13-17-23;5-3(6)1-2-4(7)8/h10-17,24H,4-9,18-19H2,1-3H3,(H,28,29);1-2H,(H,5,6)(H,7,8)/p-1/b;2-1+