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

Systemtic Name: 2-[4-[(2S)-butan-2-yl]phenyl]-6-methyl-quinoline-4-carboxylate Openeye Name: 6-methyl-2-[4-[(1S)-1-methylpropyl]phenyl]quinoline-4-carboxylate CAS Name: 2-[4-[(2S)-butan-2-yl]phenyl]-6-methyl-4-quinolinecarboxylate IUPAC Name: 2-[4-[(2S)-butan-2-yl]phenyl]-6-methylquinoline-4-carboxylate Traditional Name: 6-methyl-2-[4-[(1S)-1-methylpropyl]phenyl]cinchoninate Formula: C21H20NO2- MolecularWeight: 318.389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO2/c1-4-14(3)15-6-8-16(9-7-15)20-12-18(21(23)24)17-11-13(2)5-10-19(17)22-20/h5-12,14H,4H2,1-3H3,(H,23,24)/p-1/t14-/m0/s1