(E)-2-(2-phenylpyrrolidin-3-yl)-2-(pyridin-3-ylmethyl)hex-4-enoic acid

Systemtic Name: (E)-2-(2-phenylpyrrolidin-3-yl)-2-(pyridin-3-ylmethyl)hex-4-enoic acid Openeye Name: (E)-2-(2-phenylpyrrolidin-3-yl)-2-(3-pyridylmethyl)hex-4-enoic acid CAS Name: (E)-2-(2-phenyl-3-pyrrolidinyl)-2-(3-pyridinylmethyl)-4-hexenoic acid IUPAC Name: (E)-2-(2-phenylpyrrolidin-3-yl)-2-(pyridin-3-ylmethyl)hex-4-enoic acid Traditional Name: (E)-2-(2-phenylpyrrolidin-3-yl)-2-(3-pyridylmethyl)hex-4-enoic acid Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(CC1=CN=CC=C1)(C2CCNC2C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C/C=C/CC(CC1=CN=CC=C1)(C2CCNC2C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H26N2O2/c1-2-3-12-22(21(25)26,15-17-8-7-13-23-16-17)19-11-14-24-20(19)18-9-5-4-6-10-18/h2-10,13,16,19-20,24H,11-12,14-15H2,1H3,(H,25,26)/b3-2+