N-[3-ethanoyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]butanamide

Systemtic Name: N-[3-ethanoyl-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]butanamide Openeye Name: N-[3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]butanamide CAS Name: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide IUPAC Name: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide Traditional Name: N-[3-acetyl-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]butyramide Formula: C36H56N4O8 MolecularWeight: 672.85184

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C.CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C.CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C

InChI

InChI=1S/2C18H28N2O4/c2*1-5-6-18(23)20-14-7-8-17(16(9-14)13(4)21)24-11-15(22)10-19-12(2)3/h2*7-9,12,15,19,22H,5-6,10-11H2,1-4H3,(H,20,23)