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

Systemtic Name: N-[(2S,3S,5R)-1-cyclohexyl-5-(dimethylcarbamoyl)-7-methyl-3-oxidanyl-oct-7-en-2-yl]quinoline-3-carboxamide Openeye Name: N-[(1S,2S,4R)-1-(cyclohexylmethyl)-4-(dimethylcarbamoyl)-2-hydroxy-6-methyl-hept-6-enyl]quinoline-3-carboxamide CAS Name: N-[(2S,3S,5R)-1-cyclohexyl-5-[dimethylamino(oxo)methyl]-3-hydroxy-7-methyloct-7-en-2-yl]-3-quinolinecarboxamide IUPAC Name: N-[(2S,3S,5R)-1-cyclohexyl-5-(dimethylcarbamoyl)-3-hydroxy-7-methyloct-7-en-2-yl]quinoline-3-carboxamide Traditional Name: N-[(1S,2S,4R)-1-(cyclohexylmethyl)-4-(dimethylcarbamoyl)-2-hydroxy-6-methyl-hept-6-enyl]quinoline-3-carboxamide Formula: C28H39N3O3 MolecularWeight: 465.62756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O3/c1-19(2)14-22(28(34)31(3)4)17-26(32)25(15-20-10-6-5-7-11-20)30-27(33)23-16-21-12-8-9-13-24(21)29-18-23/h8-9,12-13,16,18,20,22,25-26,32H,1,5-7,10-11,14-15,17H2,2-4H3,(H,30,33)/t22-,25+,26+/m1/s1