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

Systemtic Name: N1-[(2S,3R)-4-(3-morpholin-4-ylpropylamino)-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-morpholinopropylamino)propyl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3R)-3-hydroxy-4-[3-(4-morpholinyl)propylamino]-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3R)-3-hydroxy-4-(3-morpholin-4-ylpropylamino)-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(3-morpholinopropylamino)propyl]-N',N'-dipropyl-isophthalamide Formula: C31H46N4O4 MolecularWeight: 538.72134

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNCCCN3CCOCC3)O

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNCCCN3CCOCC3)O

InChI

InChI=1S/C31H46N4O4/c1-3-15-35(16-4-2)31(38)27-13-8-12-26(23-27)30(37)33-28(22-25-10-6-5-7-11-25)29(36)24-32-14-9-17-34-18-20-39-21-19-34/h5-8,10-13,23,28-29,32,36H,3-4,9,14-22,24H2,1-2H3,(H,33,37)/t28-,29+/m0/s1