N-[(1R,3S,4S)-1-cyclohexyl-4-[3-(4-methylphenoxy)propanoylamino]-3-oxidanyl-5-phenyl-pentyl]-3-phenoxy-benzamide

Systemtic Name: N-[(1R,3S,4S)-1-cyclohexyl-4-[3-(4-methylphenoxy)propanoylamino]-3-oxidanyl-5-phenyl-pentyl]-3-phenoxy-benzamide Openeye Name: N-[(1R,3S,4S)-1-cyclohexyl-3-hydroxy-4-[3-(4-methylphenoxy)propanoylamino]-5-phenyl-pentyl]-3-phenoxy-benzamide CAS Name: N-[(1R,3S,4S)-1-cyclohexyl-3-hydroxy-4-[[3-(4-methylphenoxy)-1-oxopropyl]amino]-5-phenylpentyl]-3-phenoxybenzamide IUPAC Name: N-[(1R,3S,4S)-1-cyclohexyl-3-hydroxy-4-[3-(4-methylphenoxy)propanoylamino]-5-phenylpentyl]-3-phenoxybenzamide Traditional Name: N-[(1R,3S,4S)-1-cyclohexyl-3-hydroxy-4-[3-(4-methylphenoxy)propanoylamino]-5-phenyl-pentyl]-3-phenoxy-benzamide Formula: C40H46N2O5 MolecularWeight: 634.80364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCC(=O)NC(CC2=CC=CC=C2)C(CC(C3CCCCC3)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](C3CCCCC3)NC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5)O

InChI

InChI=1S/C40H46N2O5/c1-29-20-22-33(23-21-29)46-25-24-39(44)41-37(26-30-12-5-2-6-13-30)38(43)28-36(31-14-7-3-8-15-31)42-40(45)32-16-11-19-35(27-32)47-34-17-9-4-10-18-34/h2,4-6,9-13,16-23,27,31,36-38,43H,3,7-8,14-15,24-26,28H2,1H3,(H,41,44)(H,42,45)/t36-,37+,38+/m1/s1