4-[4-cyano-3-[3-[cyclohexylmethyl(cyclopropyl)amino]-2-oxidanyl-propoxy]phenyl]benzoic acid

Systemtic Name: 4-[4-cyano-3-[3-[cyclohexylmethyl(cyclopropyl)amino]-2-oxidanyl-propoxy]phenyl]benzoic acid Openeye Name: 4-[4-cyano-3-[3-[cyclohexylmethyl(cyclopropyl)amino]-2-hydroxy-propoxy]phenyl]benzoic acid CAS Name: 4-[4-cyano-3-[3-[cyclohexylmethyl(cyclopropyl)amino]-2-hydroxypropoxy]phenyl]benzoic acid IUPAC Name: 4-[4-cyano-3-[3-[cyclohexylmethyl(cyclopropyl)amino]-2-hydroxypropoxy]phenyl]benzoic acid Traditional Name: 4-[4-cyano-3-[3-[cyclohexylmethyl(cyclopropyl)amino]-2-hydroxy-propoxy]phenyl]benzoic acid Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN(CC(COC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)C#N)O)C4CC4

Isomeric SMILES

C1CCC(CC1)CN(CC(COC2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)C#N)O)C4CC4

InChI

InChI=1S/C27H32N2O4/c28-15-23-11-10-22(20-6-8-21(9-7-20)27(31)32)14-26(23)33-18-25(30)17-29(24-12-13-24)16-19-4-2-1-3-5-19/h6-11,14,19,24-25,30H,1-5,12-13,16-18H2,(H,31,32)