3-[(2-propan-2-yl-3,4-dihydro-1H-quinolin-2-yl)methyl]thiophene-2-carboxylic acid

Systemtic Name: 3-[(2-propan-2-yl-3,4-dihydro-1H-quinolin-2-yl)methyl]thiophene-2-carboxylic acid Openeye Name: 3-[(2-isopropyl-3,4-dihydro-1H-quinolin-2-yl)methyl]thiophene-2-carboxylic acid CAS Name: 3-[(2-propan-2-yl-3,4-dihydro-1H-quinolin-2-yl)methyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-propan-2-yl-3,4-dihydro-1H-quinolin-2-yl)methyl]thiophene-2-carboxylic acid Traditional Name: 3-[(2-isopropyl-3,4-dihydro-1H-quinolin-2-yl)methyl]-2-thenoic acid Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(CCC2=CC=CC=C2N1)CC3=C(SC=C3)C(=O)O

Isomeric SMILES

CC(C)C1(CCC2=CC=CC=C2N1)CC3=C(SC=C3)C(=O)O

InChI

InChI=1S/C18H21NO2S/c1-12(2)18(11-14-8-10-22-16(14)17(20)21)9-7-13-5-3-4-6-15(13)19-18/h3-6,8,10,12,19H,7,9,11H2,1-2H3,(H,20,21)