6-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidin-1-yl]hexanoic acid

Systemtic Name: 6-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidin-1-yl]hexanoic acid Openeye Name: 6-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidin-1-yl]hexanoic acid CAS Name: 6-[(2E)-4,4-dimethyl-2-phenacylidene-1-pyrrolidinyl]hexanoic acid IUPAC Name: 6-[(2E)-4,4-dimethyl-2-phenacylidenepyrrolidin-1-yl]hexanoic acid Traditional Name: 6-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidino]hexanoic acid Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C2=CC=CC=C2)N(C1)CCCCCC(=O)O)C

Isomeric SMILES

CC1(C/C(=C\C(=O)C2=CC=CC=C2)/N(C1)CCCCCC(=O)O)C

InChI

InChI=1S/C20H27NO3/c1-20(2)14-17(13-18(22)16-9-5-3-6-10-16)21(15-20)12-8-4-7-11-19(23)24/h3,5-6,9-10,13H,4,7-8,11-12,14-15H2,1-2H3,(H,23,24)/b17-13+