2-[(4-butyl-2-oxidanylidene-pyrrolidin-1-yl)methyl]benzoic acid

Systemtic Name: 2-[(4-butyl-2-oxidanylidene-pyrrolidin-1-yl)methyl]benzoic acid Openeye Name: 2-[(4-butyl-2-oxo-pyrrolidin-1-yl)methyl]benzoic acid CAS Name: 2-[(4-butyl-2-oxo-1-pyrrolidinyl)methyl]benzoic acid IUPAC Name: 2-[(4-butyl-2-oxopyrrolidin-1-yl)methyl]benzoic acid Traditional Name: 2-[(4-butyl-2-keto-pyrrolidino)methyl]benzoic acid Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC(=O)N(C1)CC2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCCC1CC(=O)N(C1)CC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H21NO3/c1-2-3-6-12-9-15(18)17(10-12)11-13-7-4-5-8-14(13)16(19)20/h4-5,7-8,12H,2-3,6,9-11H2,1H3,(H,19,20)