N-[(2S)-1-(cyclododecylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide

Systemtic Name: N-[(2S)-1-(cyclododecylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-2-(cyclododecylamino)-1-(hydroxymethyl)-2-oxo-ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-1-(cyclododecylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-(cyclododecylamino)-2-keto-1-methylol-ethyl]cinchoninamide Formula: C25H35N3O3 MolecularWeight: 425.5637

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)NC(=O)C(CO)NC(=O)C2=CC=NC3=CC=CC=C23

Isomeric SMILES

C1CCCCCC(CCCCC1)NC(=O)[C@H](CO)NC(=O)C2=CC=NC3=CC=CC=C23

InChI

InChI=1S/C25H35N3O3/c29-18-23(28-24(30)21-16-17-26-22-15-11-10-14-20(21)22)25(31)27-19-12-8-6-4-2-1-3-5-7-9-13-19/h10-11,14-17,19,23,29H,1-9,12-13,18H2,(H,27,31)(H,28,30)/t23-/m0/s1