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

Systemtic Name: ethyl 3-[4-cyano-3-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]propanoate Openeye Name: ethyl 3-[4-cyano-3-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]propanoate CAS Name: 3-[4-cyano-3-[2-hydroxy-3-[[2-methyl-1-(2-naphthalenyl)propan-2-yl]amino]propoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-cyano-3-[2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]phenyl]propanoate Traditional Name: 3-[4-cyano-3-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]propionic acid ethyl ester Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC(=C(C=C1)C#N)OCC(CNC(C)(C)CC2=CC3=CC=CC=C3C=C2)O

Isomeric SMILES

CCOC(=O)CCC1=CC(=C(C=C1)C#N)OCC(CNC(C)(C)CC2=CC3=CC=CC=C3C=C2)O

InChI

InChI=1S/C29H34N2O4/c1-4-34-28(33)14-11-21-9-13-25(18-30)27(16-21)35-20-26(32)19-31-29(2,3)17-22-10-12-23-7-5-6-8-24(23)15-22/h5-10,12-13,15-16,26,31-32H,4,11,14,17,19-20H2,1-3H3