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

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

Isomeric SMILES

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

InChI

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