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

Systemtic Name: ethyl 4-[4-cyano-3-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]benzoate Openeye Name: ethyl 4-[4-cyano-3-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]benzoate CAS Name: 4-[4-cyano-3-[2-hydroxy-3-[[2-methyl-1-(2-naphthalenyl)propan-2-yl]amino]propoxy]phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-cyano-3-[2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]phenyl]benzoate Traditional Name: 4-[4-cyano-3-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]benzoic acid ethyl ester Formula: C33H34N2O4 MolecularWeight: 522.63406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)C#N)OCC(CNC(C)(C)CC3=CC4=CC=CC=C4C=C3)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)C#N)OCC(CNC(C)(C)CC3=CC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C33H34N2O4/c1-4-38-32(37)26-13-11-25(12-14-26)28-15-16-29(20-34)31(18-28)39-22-30(36)21-35-33(2,3)19-23-9-10-24-7-5-6-8-27(24)17-23/h5-18,30,35-36H,4,19,21-22H2,1-3H3