N-[(4S,6S,7S)-1-cyclohexyl-7-[3-(4-methylphenoxy)propanoylamino]-6-oxidanyl-8-phenyl-octan-4-yl]-3-phenoxy-benzamide

Systemtic Name: N-[(4S,6S,7S)-1-cyclohexyl-7-[3-(4-methylphenoxy)propanoylamino]-6-oxidanyl-8-phenyl-octan-4-yl]-3-phenoxy-benzamide Openeye Name: N-[(1S,3S,4S)-1-(3-cyclohexylpropyl)-3-hydroxy-4-[3-(4-methylphenoxy)propanoylamino]-5-phenyl-pentyl]-3-phenoxy-benzamide CAS Name: N-[(4S,6S,7S)-1-cyclohexyl-6-hydroxy-7-[[3-(4-methylphenoxy)-1-oxopropyl]amino]-8-phenyloctan-4-yl]-3-phenoxybenzamide IUPAC Name: N-[(4S,6S,7S)-1-cyclohexyl-6-hydroxy-7-[3-(4-methylphenoxy)propanoylamino]-8-phenyloctan-4-yl]-3-phenoxybenzamide Traditional Name: N-[(1S,3S,4S)-1-(3-cyclohexylpropyl)-3-hydroxy-4-[3-(4-methylphenoxy)propanoylamino]-5-phenyl-pentyl]-3-phenoxy-benzamide Formula: C43H52N2O5 MolecularWeight: 676.88338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCC(=O)NC(CC2=CC=CC=C2)C(CC(CCCC3CCCCC3)NC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5)O

Isomeric SMILES

CC1=CC=C(C=C1)OCCC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](C[C@H](CCCC3CCCCC3)NC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5)O

InChI

InChI=1S/C43H52N2O5/c1-32-23-25-37(26-24-32)49-28-27-42(47)45-40(29-34-15-7-3-8-16-34)41(46)31-36(19-11-17-33-13-5-2-6-14-33)44-43(48)35-18-12-22-39(30-35)50-38-20-9-4-10-21-38/h3-4,7-10,12,15-16,18,20-26,30,33,36,40-41,46H,2,5-6,11,13-14,17,19,27-29,31H2,1H3,(H,44,48)(H,45,47)/t36-,40-,41-/m0/s1