2-[4-[(2S)-butan-2-yl]phenyl]-6-chloranyl-quinoline-4-carboxylate

Systemtic Name: 2-[4-[(2S)-butan-2-yl]phenyl]-6-chloranyl-quinoline-4-carboxylate Openeye Name: 6-chloro-2-[4-[(1S)-1-methylpropyl]phenyl]quinoline-4-carboxylate CAS Name: 2-[4-[(2S)-butan-2-yl]phenyl]-6-chloro-4-quinolinecarboxylate IUPAC Name: 2-[4-[(2S)-butan-2-yl]phenyl]-6-chloroquinoline-4-carboxylate Traditional Name: 6-chloro-2-[4-[(1S)-1-methylpropyl]phenyl]cinchoninate Formula: C20H17ClNO2- MolecularWeight: 338.80748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)[O-]

InChI

InChI=1S/C20H18ClNO2/c1-3-12(2)13-4-6-14(7-5-13)19-11-17(20(23)24)16-10-15(21)8-9-18(16)22-19/h4-12H,3H2,1-2H3,(H,23,24)/p-1/t12-/m0/s1