2-[5-[4-[(2S)-butan-2-yl]phenyl]furan-2-yl]quinoline-4-carboxylate

Systemtic Name: 2-[5-[4-[(2S)-butan-2-yl]phenyl]furan-2-yl]quinoline-4-carboxylate Openeye Name: 2-[5-[4-[(1S)-1-methylpropyl]phenyl]-2-furyl]quinoline-4-carboxylate CAS Name: 2-[5-[4-[(2S)-butan-2-yl]phenyl]-2-furanyl]-4-quinolinecarboxylate IUPAC Name: 2-[5-[4-[(2S)-butan-2-yl]phenyl]furan-2-yl]quinoline-4-carboxylate Traditional Name: 2-[5-[4-[(1S)-1-methylpropyl]phenyl]-2-furyl]cinchoninate Formula: C24H20NO3- MolecularWeight: 370.4205

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

InChI

InChI=1S/C24H21NO3/c1-3-15(2)16-8-10-17(11-9-16)22-12-13-23(28-22)21-14-19(24(26)27)18-6-4-5-7-20(18)25-21/h4-15H,3H2,1-2H3,(H,26,27)/p-1/t15-/m0/s1