ethyl 4-[2-cyano-3-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]butanoate

Systemtic Name: ethyl 4-[2-cyano-3-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]butanoate Openeye Name: ethyl 4-[2-cyano-3-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]butanoate CAS Name: 4-[2-cyano-3-[2-hydroxy-3-[[2-methyl-1-(2-naphthalenyl)propan-2-yl]amino]propoxy]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-cyano-3-[2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]phenyl]butanoate Traditional Name: 4-[2-cyano-3-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]butyric acid ethyl ester Formula: C30H36N2O4 MolecularWeight: 488.61784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCC1=C(C(=CC=C1)OCC(CNC(C)(C)CC2=CC3=CC=CC=C3C=C2)O)C#N

Isomeric SMILES

CCOC(=O)CCCC1=C(C(=CC=C1)OCC(CNC(C)(C)CC2=CC3=CC=CC=C3C=C2)O)C#N

InChI

InChI=1S/C30H36N2O4/c1-4-35-29(34)14-8-12-24-11-7-13-28(27(24)19-31)36-21-26(33)20-32-30(2,3)18-22-15-16-23-9-5-6-10-25(23)17-22/h5-7,9-11,13,15-17,26,32-33H,4,8,12,14,18,20-21H2,1-3H3