N-[(2R,3S,5S)-1-cyclohexyl-7-methyl-5-(methylcarbamoyl)-3-oxidanyl-octan-2-yl]quinoline-3-carboxamide

Systemtic Name: N-[(2R,3S,5S)-1-cyclohexyl-7-methyl-5-(methylcarbamoyl)-3-oxidanyl-octan-2-yl]quinoline-3-carboxamide Openeye Name: N-[(1R,2S,4S)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-(methylcarbamoyl)heptyl]quinoline-3-carboxamide CAS Name: N-[(2R,3S,5S)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)octan-2-yl]-3-quinolinecarboxamide IUPAC Name: N-[(2R,3S,5S)-1-cyclohexyl-3-hydroxy-7-methyl-5-(methylcarbamoyl)octan-2-yl]quinoline-3-carboxamide Traditional Name: N-[(1R,2S,4S)-1-(cyclohexylmethyl)-2-hydroxy-6-methyl-4-(methylcarbamoyl)heptyl]quinoline-3-carboxamide Formula: C27H39N3O3 MolecularWeight: 453.61686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C(CC1CCCCC1)NC(=O)C2=CC3=CC=CC=C3N=C2)O)C(=O)NC

Isomeric SMILES

CC(C)C[C@@H](C[C@@H]([C@@H](CC1CCCCC1)NC(=O)C2=CC3=CC=CC=C3N=C2)O)C(=O)NC

InChI

InChI=1S/C27H39N3O3/c1-18(2)13-21(26(32)28-3)16-25(31)24(14-19-9-5-4-6-10-19)30-27(33)22-15-20-11-7-8-12-23(20)29-17-22/h7-8,11-12,15,17-19,21,24-25,31H,4-6,9-10,13-14,16H2,1-3H3,(H,28,32)(H,30,33)/t21-,24+,25-/m0/s1