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

Systemtic Name: N1-[(2S,3R)-4-[(4-methylphenyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide Openeye Name: N1-[(1S,2R)-1-benzyl-2-hydroxy-3-(4-methylanilino)propyl]-N3,N3-dipropyl-benzene-1,3-dicarboxamide CAS Name: N1-[(2S,3R)-3-hydroxy-4-(4-methylanilino)-1-phenylbutan-2-yl]-N3,N3-dipropylbenzene-1,3-dicarboxamide IUPAC Name: 1-N-[(2S,3R)-3-hydroxy-4-(4-methylanilino)-1-phenylbutan-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(p-toluidino)propyl]-N',N'-dipropyl-isophthalamide Formula: C31H39N3O3 MolecularWeight: 501.65966

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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(CNC3=CC=C(C=C3)C)O

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNC3=CC=C(C=C3)C)O

InChI

InChI=1S/C31H39N3O3/c1-4-18-34(19-5-2)31(37)26-13-9-12-25(21-26)30(36)33-28(20-24-10-7-6-8-11-24)29(35)22-32-27-16-14-23(3)15-17-27/h6-17,21,28-29,32,35H,4-5,18-20,22H2,1-3H3,(H,33,36)/t28-,29+/m0/s1