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

Systemtic Name: 4-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidin-1-yl]butanoic acid Openeye Name: 4-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidin-1-yl]butanoic acid CAS Name: 4-[(2E)-4,4-dimethyl-2-phenacylidene-1-pyrrolidinyl]butanoic acid IUPAC Name: 4-[(2E)-4,4-dimethyl-2-phenacylidenepyrrolidin-1-yl]butanoic acid Traditional Name: 4-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidino]butyric acid Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-18(2)12-15(19(13-18)10-6-9-17(21)22)11-16(20)14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10,12-13H2,1-2H3,(H,21,22)/b15-11+