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

Systemtic Name: ethyl 4-[4-cyano-3-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]butanoate Openeye Name: ethyl 4-[4-cyano-3-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]butanoate CAS Name: 4-[4-cyano-3-[2-hydroxy-3-[[2-methyl-1-(2-naphthalenyl)propan-2-yl]amino]propoxy]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-cyano-3-[2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]phenyl]butanoate Traditional Name: 4-[4-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=CC(=C(C=C1)C#N)OCC(CNC(C)(C)CC2=CC3=CC=CC=C3C=C2)O

Isomeric SMILES

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

InChI

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