2-[[6-(3-methylbutylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[6-(3-methylbutylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-(isopentylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid CAS Name: 2-[[6-[(3-methylbutylamino)-oxomethyl]-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acid IUPAC Name: 2-[[6-(3-methylbutylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-(isoamylcarbamoyl)-1,2,3,4-tetrahydroacridin-9-yl]thio]acetic acid Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=C3CCCCC3=N2)SCC(=O)O

Isomeric SMILES

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=C3CCCCC3=N2)SCC(=O)O

InChI

InChI=1S/C21H26N2O3S/c1-13(2)9-10-22-21(26)14-7-8-16-18(11-14)23-17-6-4-3-5-15(17)20(16)27-12-19(24)25/h7-8,11,13H,3-6,9-10,12H2,1-2H3,(H,22,26)(H,24,25)