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

Systemtic Name: N1-[(2S,3R)-4-[(3-chlorophenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2R)-1-benzyl-3-[(3-chlorophenyl)methylamino]-2-hydroxy-propyl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3R)-4-[(3-chlorophenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3R)-4-[(3-chlorophenyl)methylamino]-3-hydroxy-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2R)-1-benzyl-3-[(3-chlorobenzyl)amino]-2-hydroxy-propyl]-N',N'-dipropyl-isophthalamide Formula: C31H38ClN3O3 MolecularWeight: 536.10472

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(CNCC3=CC(=CC=C3)Cl)O

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNCC3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C31H38ClN3O3/c1-3-16-35(17-4-2)31(38)26-14-9-13-25(20-26)30(37)34-28(19-23-10-6-5-7-11-23)29(36)22-33-21-24-12-8-15-27(32)18-24/h5-15,18,20,28-29,33,36H,3-4,16-17,19,21-22H2,1-2H3,(H,34,37)/t28-,29+/m0/s1