(E)-but-2-enedioate; 2-[(Z)-1-(4-chlorophenyl)-3-pyrrolidin-1-yl-prop-1-enyl]pyridine

Systemtic Name: (E)-but-2-enedioate; 2-[(Z)-1-(4-chlorophenyl)-3-pyrrolidin-1-yl-prop-1-enyl]pyridine Openeye Name: (E)-but-2-enedioate; 2-[(Z)-1-(4-chlorophenyl)-3-pyrrolidin-1-yl-prop-1-enyl]pyridine CAS Name: (E)-2-butenedioate; 2-[(Z)-1-(4-chlorophenyl)-3-(1-pyrrolidinyl)prop-1-enyl]pyridine IUPAC Name: (E)-but-2-enedioate; 2-[(Z)-1-(4-chlorophenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine Traditional Name: 2-[(Z)-1-(4-chlorophenyl)-3-pyrrolidino-prop-1-enyl]pyridine fumarate Formula: C22H21ClN2O4-2 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC=C(C2=CC=C(C=C2)Cl)C3=CC=CC=N3.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1CCN(C1)C/C=C(/C2=CC=C(C=C2)Cl)\C3=CC=CC=N3.C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C18H19ClN2.C4H4O4/c19-16-8-6-15(7-9-16)17(18-5-1-2-11-20-18)10-14-21-12-3-4-13-21;5-3(6)1-2-4(7)8/h1-2,5-11H,3-4,12-14H2;1-2H,(H,5,6)(H,7,8)/p-2/b17-10-;2-1+