N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-4-ethoxy-quinoline-6-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-4-ethoxy-quinoline-6-carboxamide Openeye Name: 2-(3-chlorophenyl)-4-ethoxy-N-[(1S)-1-methylpropyl]quinoline-6-carboxamide CAS Name: N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-4-ethoxy-6-quinolinecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-2-(3-chlorophenyl)-4-ethoxyquinoline-6-carboxamide Traditional Name: 2-(3-chlorophenyl)-4-ethoxy-N-[(1S)-1-methylpropyl]quinoline-6-carboxamide Formula: C22H23ClN2O2 MolecularWeight: 382.88322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC2=C(C=C1)N=C(C=C2OCC)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC2=C(C=C1)N=C(C=C2OCC)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H23ClN2O2/c1-4-14(3)24-22(26)16-9-10-19-18(12-16)21(27-5-2)13-20(25-19)15-7-6-8-17(23)11-15/h6-14H,4-5H2,1-3H3,(H,24,26)/t14-/m0/s1