2-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-quinoline-4-carboxylate

Systemtic Name: 2-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-quinoline-4-carboxylate Openeye Name: 3-methyl-2-[4-[(1S)-1-methylpropyl]phenyl]quinoline-4-carboxylate CAS Name: 2-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-4-quinolinecarboxylate IUPAC Name: 2-[4-[(2S)-butan-2-yl]phenyl]-3-methylquinoline-4-carboxylate Traditional Name: 3-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=CC=CC=C3C(=C2C)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)[O-]

InChI

InChI=1S/C21H21NO2/c1-4-13(2)15-9-11-16(12-10-15)20-14(3)19(21(23)24)17-7-5-6-8-18(17)22-20/h5-13H,4H2,1-3H3,(H,23,24)/p-1/t13-/m0/s1