3-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidin-1-yl]propanoic acid

Systemtic Name: 3-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidin-1-yl]propanoic acid Openeye Name: 3-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidin-1-yl]propanoic acid CAS Name: 3-[(2E)-4,4-dimethyl-2-phenacylidene-1-pyrrolidinyl]propanoic acid IUPAC Name: 3-[(2E)-4,4-dimethyl-2-phenacylidenepyrrolidin-1-yl]propanoic acid Traditional Name: 3-[(2E)-4,4-dimethyl-2-phenacylidene-pyrrolidino]propionic acid Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3/c1-17(2)11-14(18(12-17)9-8-16(20)21)10-15(19)13-6-4-3-5-7-13/h3-7,10H,8-9,11-12H2,1-2H3,(H,20,21)/b14-10+