N-[(2S,3R)-4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-propoxy-benzamide

Systemtic Name: N-[(2S,3R)-4-[(3-methoxyphenyl)methylamino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-propoxy-benzamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxyphenyl)methylamino]propyl]-3-propoxy-benzamide CAS Name: N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-propoxybenzamide IUPAC Name: N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-3-propoxybenzamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(m-anisylamino)propyl]-3-propoxy-benzamide Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(CC2=CC=CC=C2)C(CNCC3=CC(=CC=C3)OC)O

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](CNCC3=CC(=CC=C3)OC)O

InChI

InChI=1S/C28H34N2O4/c1-3-15-34-25-14-8-12-23(18-25)28(32)30-26(17-21-9-5-4-6-10-21)27(31)20-29-19-22-11-7-13-24(16-22)33-2/h4-14,16,18,26-27,29,31H,3,15,17,19-20H2,1-2H3,(H,30,32)/t26-,27+/m0/s1