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

Systemtic Name: N1-[(2S,3R)-3-oxidanyl-4-(oxolan-2-ylmethylamino)-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2R)-1-benzyl-2-hydroxy-3-(tetrahydrofuran-2-ylmethylamino)propyl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3R)-3-hydroxy-4-(2-oxolanylmethylamino)-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3R)-3-hydroxy-4-(oxolan-2-ylmethylamino)-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(tetrahydrofurfurylamino)propyl]-N',N'-dipropyl-isophthalamide Formula: C29H41N3O4 MolecularWeight: 495.65354

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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(CNCC3CCCO3)O

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNCC3CCCO3)O

InChI

InChI=1S/C29H41N3O4/c1-3-15-32(16-4-2)29(35)24-13-8-12-23(19-24)28(34)31-26(18-22-10-6-5-7-11-22)27(33)21-30-20-25-14-9-17-36-25/h5-8,10-13,19,25-27,30,33H,3-4,9,14-18,20-21H2,1-2H3,(H,31,34)/t25?,26-,27+/m0/s1