8-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidin-1-yl]octanoic acid

Systemtic Name: 8-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidin-1-yl]octanoic acid Openeye Name: 8-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidin-1-yl]octanoic acid CAS Name: 8-[(2E)-4,4-dimethyl-2-phenacylidene-1-pyrrolidinyl]octanoic acid IUPAC Name: 8-[(2E)-4,4-dimethyl-2-phenacylidenepyrrolidin-1-yl]octanoic acid Traditional Name: 8-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidino]caprylic acid Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO3/c1-22(2)16-19(15-20(24)18-11-7-6-8-12-18)23(17-22)14-10-5-3-4-9-13-21(25)26/h6-8,11-12,15H,3-5,9-10,13-14,16-17H2,1-2H3,(H,25,26)/b19-15+