3-cyano-4-[3-[(2-methyl-4-phenoxy-butan-2-yl)amino]-2-oxidanyl-propoxy]-N,N-dipropyl-benzamide

Systemtic Name: 3-cyano-4-[3-[(2-methyl-4-phenoxy-butan-2-yl)amino]-2-oxidanyl-propoxy]-N,N-dipropyl-benzamide Openeye Name: 3-cyano-4-[3-[(1,1-dimethyl-3-phenoxy-propyl)amino]-2-hydroxy-propoxy]-N,N-dipropyl-benzamide CAS Name: 3-cyano-4-[2-hydroxy-3-[(2-methyl-4-phenoxybutan-2-yl)amino]propoxy]-N,N-dipropylbenzamide IUPAC Name: 3-cyano-4-[2-hydroxy-3-[(2-methyl-4-phenoxybutan-2-yl)amino]propoxy]-N,N-dipropylbenzamide Traditional Name: 3-cyano-4-[3-[(1,1-dimethyl-3-phenoxy-propyl)amino]-2-hydroxy-propoxy]-N,N-dipropyl-benzamide Formula: C28H39N3O4 MolecularWeight: 481.62696

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)C1=CC(=C(C=C1)OCC(CNC(C)(C)CCOC2=CC=CC=C2)O)C#N

Isomeric SMILES

CCCN(CCC)C(=O)C1=CC(=C(C=C1)OCC(CNC(C)(C)CCOC2=CC=CC=C2)O)C#N

InChI

InChI=1S/C28H39N3O4/c1-5-15-31(16-6-2)27(33)22-12-13-26(23(18-22)19-29)35-21-24(32)20-30-28(3,4)14-17-34-25-10-8-7-9-11-25/h7-13,18,24,30,32H,5-6,14-17,20-21H2,1-4H3