2-[4-[(3-butyl-5-chloranyl-2-oxidanylidene-5-propyl-imidazolidin-1-yl)methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[(3-butyl-5-chloranyl-2-oxidanylidene-5-propyl-imidazolidin-1-yl)methyl]phenyl]benzoic acid Openeye Name: 2-[4-[(3-butyl-5-chloro-2-oxo-5-propyl-imidazolidin-1-yl)methyl]phenyl]benzoic acid CAS Name: 2-[4-[(3-butyl-5-chloro-2-oxo-5-propyl-1-imidazolidinyl)methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[(3-butyl-5-chloro-2-oxo-5-propylimidazolidin-1-yl)methyl]phenyl]benzoic acid Traditional Name: 2-[4-[(3-butyl-5-chloro-2-keto-5-propyl-imidazolidin-1-yl)methyl]phenyl]benzoic acid Formula: C24H29ClN2O3 MolecularWeight: 428.95166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC(N(C1=O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)(CCC)Cl

Isomeric SMILES

CCCCN1CC(N(C1=O)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)(CCC)Cl

InChI

InChI=1S/C24H29ClN2O3/c1-3-5-15-26-17-24(25,14-4-2)27(23(26)30)16-18-10-12-19(13-11-18)20-8-6-7-9-21(20)22(28)29/h6-13H,3-5,14-17H2,1-2H3,(H,28,29)