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

Systemtic Name: 2-[4-cyano-3-[3-[(2-methyl-1-naphthalen-2-yl-propan-2-yl)amino]-2-oxidanyl-propoxy]phenyl]benzoic acid Openeye Name: 2-[4-cyano-3-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]benzoic acid CAS Name: 2-[4-cyano-3-[2-hydroxy-3-[[2-methyl-1-(2-naphthalenyl)propan-2-yl]amino]propoxy]phenyl]benzoic acid IUPAC Name: 2-[4-cyano-3-[2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]phenyl]benzoic acid Traditional Name: 2-[4-cyano-3-[3-[[1,1-dimethyl-2-(2-naphthyl)ethyl]amino]-2-hydroxy-propoxy]phenyl]benzoic acid Formula: C31H30N2O4 MolecularWeight: 494.5809

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C=CC(=C3)C4=CC=CC=C4C(=O)O)C#N)O

Isomeric SMILES

CC(C)(CC1=CC2=CC=CC=C2C=C1)NCC(COC3=C(C=CC(=C3)C4=CC=CC=C4C(=O)O)C#N)O

InChI

InChI=1S/C31H30N2O4/c1-31(2,17-21-11-12-22-7-3-4-8-23(22)15-21)33-19-26(34)20-37-29-16-24(13-14-25(29)18-32)27-9-5-6-10-28(27)30(35)36/h3-16,26,33-34H,17,19-20H2,1-2H3,(H,35,36)