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

Systemtic Name: N1-[(2S,3R)-3-oxidanyl-1-phenyl-4-(2-pyridin-2-ylethylamino)butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2R)-1-benzyl-2-hydroxy-3-[2-(2-pyridyl)ethylamino]propyl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3R)-3-hydroxy-1-phenyl-4-[2-(2-pyridinyl)ethylamino]butan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3R)-3-hydroxy-1-phenyl-4-(2-pyridin-2-ylethylamino)butan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[2-(2-pyridyl)ethylamino]propyl]-N',N'-dipropyl-isophthalamide Formula: C31H40N4O3 MolecularWeight: 516.6743

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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(CNCCC3=CC=CC=N3)O

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNCCC3=CC=CC=N3)O

InChI

InChI=1S/C31H40N4O3/c1-3-19-35(20-4-2)31(38)26-14-10-13-25(22-26)30(37)34-28(21-24-11-6-5-7-12-24)29(36)23-32-18-16-27-15-8-9-17-33-27/h5-15,17,22,28-29,32,36H,3-4,16,18-21,23H2,1-2H3,(H,34,37)/t28-,29+/m0/s1