2-[5-[4-[(2S)-butan-2-yl]phenyl]furan-2-yl]-6-methyl-quinoline-4-carboxylate

Systemtic Name: 2-[5-[4-[(2S)-butan-2-yl]phenyl]furan-2-yl]-6-methyl-quinoline-4-carboxylate Openeye Name: 6-methyl-2-[5-[4-[(1S)-1-methylpropyl]phenyl]-2-furyl]quinoline-4-carboxylate CAS Name: 2-[5-[4-[(2S)-butan-2-yl]phenyl]-2-furanyl]-6-methyl-4-quinolinecarboxylate IUPAC Name: 2-[5-[4-[(2S)-butan-2-yl]phenyl]furan-2-yl]-6-methylquinoline-4-carboxylate Traditional Name: 6-methyl-2-[5-[4-[(1S)-1-methylpropyl]phenyl]-2-furyl]cinchoninate Formula: C25H22NO3- MolecularWeight: 384.44708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)[O-]

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)[O-]

InChI

InChI=1S/C25H23NO3/c1-4-16(3)17-6-8-18(9-7-17)23-11-12-24(29-23)22-14-20(25(27)28)19-13-15(2)5-10-21(19)26-22/h5-14,16H,4H2,1-3H3,(H,27,28)/p-1/t16-/m0/s1