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

Systemtic Name: 4-[3-[3-[(4-chlorophenyl)methyl-cyclopropyl-amino]-2-oxidanyl-propoxy]-4-cyano-phenyl]benzoic acid Openeye Name: 4-[3-[3-[(4-chlorophenyl)methyl-cyclopropyl-amino]-2-hydroxy-propoxy]-4-cyano-phenyl]benzoic acid CAS Name: 4-[3-[3-[(4-chlorophenyl)methyl-cyclopropylamino]-2-hydroxypropoxy]-4-cyanophenyl]benzoic acid IUPAC Name: 4-[3-[3-[(4-chlorophenyl)methyl-cyclopropylamino]-2-hydroxypropoxy]-4-cyanophenyl]benzoic acid Traditional Name: 4-[3-[3-[(4-chlorobenzyl)-cyclopropyl-amino]-2-hydroxy-propoxy]-4-cyano-phenyl]benzoic acid Formula: C27H25ClN2O4 MolecularWeight: 476.9514

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=C(C=C2)Cl)CC(COC3=C(C=CC(=C3)C4=CC=C(C=C4)C(=O)O)C#N)O

Isomeric SMILES

C1CC1N(CC2=CC=C(C=C2)Cl)CC(COC3=C(C=CC(=C3)C4=CC=C(C=C4)C(=O)O)C#N)O

InChI

InChI=1S/C27H25ClN2O4/c28-23-9-1-18(2-10-23)15-30(24-11-12-24)16-25(31)17-34-26-13-21(7-8-22(26)14-29)19-3-5-20(6-4-19)27(32)33/h1-10,13,24-25,31H,11-12,15-17H2,(H,32,33)