2-cyclopropyloxy-4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]phenyl]benzoic acid

Systemtic Name: 2-cyclopropyloxy-4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]phenyl]benzoic acid Openeye Name: 2-(cyclopropoxy)-4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]phenyl]benzoic acid CAS Name: 2-cyclopropyloxy-4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]benzoic acid IUPAC Name: 2-cyclopropyloxy-4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]benzoic acid Traditional Name: 2-(cyclopropoxy)-4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]phenyl]benzoic acid Formula: C27H29NO4 MolecularWeight: 431.52346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)OC3CC3)NCC(C4=CC=CC=C4)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)OC3CC3)NCC(C4=CC=CC=C4)O

InChI

InChI=1S/C27H29NO4/c1-18(28-17-25(29)21-5-3-2-4-6-21)15-19-7-9-20(10-8-19)22-11-14-24(27(30)31)26(16-22)32-23-12-13-23/h2-11,14,16,18,23,25,28-29H,12-13,15,17H2,1H3,(H,30,31)