N-[(2S,3S,5R)-1-(4-methoxyphenyl)-7-methyl-5-(methylcarbamoyl)-3-oxidanyl-octan-2-yl]quinoxaline-2-carboxamide

Systemtic Name: N-[(2S,3S,5R)-1-(4-methoxyphenyl)-7-methyl-5-(methylcarbamoyl)-3-oxidanyl-octan-2-yl]quinoxaline-2-carboxamide Openeye Name: N-[(1S,2S,4R)-2-hydroxy-1-[(4-methoxyphenyl)methyl]-6-methyl-4-(methylcarbamoyl)heptyl]quinoxaline-2-carboxamide CAS Name: N-[(2S,3S,5R)-3-hydroxy-1-(4-methoxyphenyl)-7-methyl-5-(methylcarbamoyl)octan-2-yl]-2-quinoxalinecarboxamide IUPAC Name: N-[(2S,3S,5R)-3-hydroxy-1-(4-methoxyphenyl)-7-methyl-5-(methylcarbamoyl)octan-2-yl]quinoxaline-2-carboxamide Traditional Name: N-[(1S,2S,4R)-2-hydroxy-6-methyl-4-(methylcarbamoyl)-1-p-anisyl-heptyl]quinoxaline-2-carboxamide Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C(CC1=CC=C(C=C1)OC)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)NC

Isomeric SMILES

CC(C)C[C@H](C[C@@H]([C@H](CC1=CC=C(C=C1)OC)NC(=O)C2=NC3=CC=CC=C3N=C2)O)C(=O)NC

InChI

InChI=1S/C27H34N4O4/c1-17(2)13-19(26(33)28-3)15-25(32)23(14-18-9-11-20(35-4)12-10-18)31-27(34)24-16-29-21-7-5-6-8-22(21)30-24/h5-12,16-17,19,23,25,32H,13-15H2,1-4H3,(H,28,33)(H,31,34)/t19-,23+,25+/m1/s1