2-[2-butyl-5-chloranyl-5-(hydroxymethyl)-3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzoic acid

Systemtic Name: 2-[2-butyl-5-chloranyl-5-(hydroxymethyl)-3-(phenylmethyl)imidazolidin-1-yl]carbonylbenzoic acid Openeye Name: 2-[3-benzyl-2-butyl-5-chloro-5-(hydroxymethyl)imidazolidine-1-carbonyl]benzoic acid CAS Name: 2-[[2-butyl-5-chloro-5-(hydroxymethyl)-3-(phenylmethyl)-1-imidazolidinyl]-oxomethyl]benzoic acid IUPAC Name: 2-[3-benzyl-2-butyl-5-chloro-5-(hydroxymethyl)imidazolidine-1-carbonyl]benzoic acid Traditional Name: 2-(3-benzyl-2-butyl-5-chloro-5-methylol-imidazolidine-1-carbonyl)benzoic acid Formula: C23H27ClN2O4 MolecularWeight: 430.92448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1N(CC(N1C(=O)C2=CC=CC=C2C(=O)O)(CO)Cl)CC3=CC=CC=C3

Isomeric SMILES

CCCCC1N(CC(N1C(=O)C2=CC=CC=C2C(=O)O)(CO)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C23H27ClN2O4/c1-2-3-13-20-25(14-17-9-5-4-6-10-17)15-23(24,16-27)26(20)21(28)18-11-7-8-12-19(18)22(29)30/h4-12,20,27H,2-3,13-16H2,1H3,(H,29,30)