(E)-but-2-enedioic acid; 3-[1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol

Systemtic Name: (E)-but-2-enedioic acid; 3-[1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol Openeye Name: 3-[1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol IUPAC Name: (E)-but-2-enedioic acid; 3-[1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol Traditional Name: 3-[1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-5-yl]phenol; fumaric acid Formula: C34H42N2O6 MolecularWeight: 574.70708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=C1)C2=CC(=CC=C2)O)CC3CC3.C1CN(CC(=C1)C2=CC(=CC=C2)O)CC3CC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CC(=C1)C2=CC(=CC=C2)O)CC3CC3.C1CN(CC(=C1)C2=CC(=CC=C2)O)CC3CC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C15H19NO.C4H4O4/c2*17-15-5-1-3-13(9-15)14-4-2-8-16(11-14)10-12-6-7-12;5-3(6)1-2-4(7)8/h2*1,3-5,9,12,17H,2,6-8,10-11H2;1-2H,(H,5,6)(H,7,8)/b;;2-1+