2-[5-(4-butan-2-ylphenyl)furan-2-yl]-6-ethyl-quinoline-4-carboxylic acid

Systemtic Name: 2-[5-(4-butan-2-ylphenyl)furan-2-yl]-6-ethyl-quinoline-4-carboxylic acid Openeye Name: 6-ethyl-2-[5-(4-sec-butylphenyl)-2-furyl]quinoline-4-carboxylic acid CAS Name: 2-[5-(4-butan-2-ylphenyl)-2-furanyl]-6-ethyl-4-quinolinecarboxylic acid IUPAC Name: 2-[5-(4-butan-2-ylphenyl)furan-2-yl]-6-ethylquinoline-4-carboxylic acid Traditional Name: 6-ethyl-2-[5-(4-sec-butylphenyl)-2-furyl]cinchoninic acid Formula: C26H25NO3 MolecularWeight: 399.4816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC=C(C=C4)C(C)CC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC=C(C=C4)C(C)CC

InChI

InChI=1S/C26H25NO3/c1-4-16(3)18-7-9-19(10-8-18)24-12-13-25(30-24)23-15-21(26(28)29)20-14-17(5-2)6-11-22(20)27-23/h6-16H,4-5H2,1-3H3,(H,28,29)