8-oxidanylidene-7-(phenylmethoxycarbonylamino)-8-(quinolin-6-ylamino)octanoic acid

Systemtic Name: 8-oxidanylidene-7-(phenylmethoxycarbonylamino)-8-(quinolin-6-ylamino)octanoic acid Openeye Name: 7-(benzyloxycarbonylamino)-8-oxo-8-(6-quinolylamino)octanoic acid CAS Name: 8-oxo-7-(phenylmethoxycarbonylamino)-8-(6-quinolinylamino)octanoic acid IUPAC Name: 8-oxo-7-(phenylmethoxycarbonylamino)-8-(quinolin-6-ylamino)octanoic acid Traditional Name: 7-(benzyloxycarbonylamino)-8-keto-8-(6-quinolylamino)caprylic acid Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCCCCC(=O)O)C(=O)NC2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCCCCC(=O)O)C(=O)NC2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C25H27N3O5/c29-23(30)12-6-2-5-11-22(28-25(32)33-17-18-8-3-1-4-9-18)24(31)27-20-13-14-21-19(16-20)10-7-15-26-21/h1,3-4,7-10,13-16,22H,2,5-6,11-12,17H2,(H,27,31)(H,28,32)(H,29,30)