2-[4-azanyl-4-oxidanylidene-3-[2-(quinolin-3-ylcarbonylamino)pentanoyloxy]butyl]tridecanoic acid hydrochloride

Systemtic Name: 2-[4-azanyl-4-oxidanylidene-3-[2-(quinolin-3-ylcarbonylamino)pentanoyloxy]butyl]tridecanoic acid hydrochloride Openeye Name: 2-[4-amino-4-oxo-3-[2-(quinoline-3-carbonylamino)pentanoyloxy]butyl]tridecanoic acid hydrochloride CAS Name: 2-[4-amino-4-oxo-3-[1-oxo-2-[[oxo(3-quinolinyl)methyl]amino]pentoxy]butyl]tridecanoic acid hydrochloride IUPAC Name: 2-[4-amino-4-oxo-3-[2-(quinoline-3-carbonylamino)pentanoyloxy]butyl]tridecanoic acid hydrochloride Traditional Name: 2-[4-amino-4-keto-3-[2-(quinoline-3-carbonylamino)pentanoyloxy]butyl]tridecanoic acid hydrochloride Formula: C32H48ClN3O6 MolecularWeight: 606.19302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCC(C(=O)N)OC(=O)C(CCC)NC(=O)C1=CC2=CC=CC=C2N=C1)C(=O)O.Cl

Isomeric SMILES

CCCCCCCCCCCC(CCC(C(=O)N)OC(=O)C(CCC)NC(=O)C1=CC2=CC=CC=C2N=C1)C(=O)O.Cl

InChI

InChI=1S/C32H47N3O6.ClH/c1-3-5-6-7-8-9-10-11-12-16-23(31(38)39)19-20-28(29(33)36)41-32(40)27(15-4-2)35-30(37)25-21-24-17-13-14-18-26(24)34-22-25;/h13-14,17-18,21-23,27-28H,3-12,15-16,19-20H2,1-2H3,(H2,33,36)(H,35,37)(H,38,39);1H