5-[[(2R,3S)-3-chloranyl-1-(4-hexanoylphenyl)pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[(2R,3S)-3-chloranyl-1-(4-hexanoylphenyl)pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid Openeye Name: 5-[[(2R,3S)-3-chloro-1-(4-hexanoylphenyl)pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid CAS Name: 5-[[(2R,3S)-3-chloro-1-[4-(1-oxohexyl)phenyl]-2-pyrrolidinyl]methoxymethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[[(2R,3S)-3-chloro-1-(4-hexanoylphenyl)pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[(2R,3S)-1-(4-caproylphenyl)-3-chloro-pyrrolidin-2-yl]methoxymethyl]-2-thenoic acid Formula: C23H28ClNO4S MolecularWeight: 449.99072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=C(C=C1)N2CCC(C2COCC3=CC=C(S3)C(=O)O)Cl

Isomeric SMILES

CCCCCC(=O)C1=CC=C(C=C1)N2CC[C@@H]([C@H]2COCC3=CC=C(S3)C(=O)O)Cl

InChI

InChI=1S/C23H28ClNO4S/c1-2-3-4-5-21(26)16-6-8-17(9-7-16)25-13-12-19(24)20(25)15-29-14-18-10-11-22(30-18)23(27)28/h6-11,19-20H,2-5,12-15H2,1H3,(H,27,28)/t19-,20+/m0/s1