8-oxidanylidene-8-(quinolin-8-ylamino)-7-(quinolin-8-ylcarbamoyl)octanoic acid

Systemtic Name: 8-oxidanylidene-8-(quinolin-8-ylamino)-7-(quinolin-8-ylcarbamoyl)octanoic acid Openeye Name: 8-oxo-8-(8-quinolylamino)-7-(8-quinolylcarbamoyl)octanoic acid CAS Name: 8-oxo-7-[oxo-(8-quinolinylamino)methyl]-8-(8-quinolinylamino)octanoic acid IUPAC Name: 8-oxo-8-(quinolin-8-ylamino)-7-(quinolin-8-ylcarbamoyl)octanoic acid Traditional Name: 8-keto-8-(8-quinolylamino)-7-(8-quinolylcarbamoyl)caprylic acid Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)C(CCCCCC(=O)O)C(=O)NC3=CC=CC4=C3N=CC=C4)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)C(CCCCCC(=O)O)C(=O)NC3=CC=CC4=C3N=CC=C4)N=CC=C2

InChI

InChI=1S/C27H26N4O4/c32-23(33)15-3-1-2-12-20(26(34)30-21-13-4-8-18-10-6-16-28-24(18)21)27(35)31-22-14-5-9-19-11-7-17-29-25(19)22/h4-11,13-14,16-17,20H,1-3,12,15H2,(H,30,34)(H,31,35)(H,32,33)