5-[[3-chloranyl-1-[4-(1-oxidanylpentyl)phenyl]pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[[3-chloranyl-1-[4-(1-oxidanylpentyl)phenyl]pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid Openeye Name: 5-[[3-chloro-1-[4-(1-hydroxypentyl)phenyl]pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid CAS Name: 5-[[3-chloro-1-[4-(1-hydroxypentyl)phenyl]-2-pyrrolidinyl]methoxymethyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[[3-chloro-1-[4-(1-hydroxypentyl)phenyl]pyrrolidin-2-yl]methoxymethyl]thiophene-2-carboxylic acid Traditional Name: 5-[[3-chloro-1-[4-(1-hydroxypentyl)phenyl]pyrrolidin-2-yl]methoxymethyl]-2-thenoic acid Formula: C22H28ClNO4S MolecularWeight: 437.98002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClNO4S/c1-2-3-4-20(25)15-5-7-16(8-6-15)24-12-11-18(23)19(24)14-28-13-17-9-10-21(29-17)22(26)27/h5-10,18-20,25H,2-4,11-14H2,1H3,(H,26,27)