2-[5-(4-butylphenyl)furan-2-yl]-6-methyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[5-(4-butylphenyl)furan-2-yl]-6-methyl-quinoline-4-carboxylic acid Openeye Name: 2-[5-(4-butylphenyl)-2-furyl]-6-methyl-quinoline-4-carboxylic acid CAS Name: 2-[5-(4-butylphenyl)-2-furanyl]-6-methyl-4-quinolinecarboxylic acid IUPAC Name: 2-[5-(4-butylphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid Traditional Name: 2-[5-(4-butylphenyl)-2-furyl]-6-methyl-cinchoninic acid Formula: C25H23NO3 MolecularWeight: 385.45502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CC=C(O2)C3=NC4=C(C=C(C=C4)C)C(=C3)C(=O)O

Isomeric SMILES

CCCCC1=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/c1-3-4-5-17-7-9-18(10-8-17)23-12-13-24(29-23)22-15-20(25(27)28)19-14-16(2)6-11-21(19)26-22/h6-15H,3-5H2,1-2H3,(H,27,28)