N1-[(2S,3R)-4-(4,4-dimethylpentylamino)-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide

Systemtic Name: N1-[(2S,3R)-4-(4,4-dimethylpentylamino)-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2R)-1-benzyl-3-(4,4-dimethylpentylamino)-2-hydroxy-propyl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3R)-4-(4,4-dimethylpentylamino)-3-hydroxy-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3R)-4-(4,4-dimethylpentylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2R)-1-benzyl-3-(4,4-dimethylpentylamino)-2-hydroxy-propyl]-N',N'-dipropyl-isophthalamide Formula: C31H47N3O3 MolecularWeight: 509.72318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNCCCC(C)(C)C)O

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNCCCC(C)(C)C)O

InChI

InChI=1S/C31H47N3O3/c1-6-19-34(20-7-2)30(37)26-16-11-15-25(22-26)29(36)33-27(21-24-13-9-8-10-14-24)28(35)23-32-18-12-17-31(3,4)5/h8-11,13-16,22,27-28,32,35H,6-7,12,17-21,23H2,1-5H3,(H,33,36)/t27-,28+/m0/s1