4-[4-[3-[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]phenyl]-2-propan-2-yloxy-benzoic acid

Systemtic Name: 4-[4-[3-[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]phenyl]-2-propan-2-yloxy-benzoic acid Openeye Name: 4-[4-[3-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]phenyl]-2-isopropoxy-benzoic acid CAS Name: 4-[4-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]-2-propan-2-yloxybenzoic acid IUPAC Name: 4-[4-[3-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]-2-propan-2-yloxybenzoic acid Traditional Name: 4-[4-[3-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]phenyl]-2-isopropoxy-benzoic acid Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1)C2=CC=C(C=C2)CCCNCC(C3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

CC(C)OC1=C(C=CC(=C1)C2=CC=C(C=C2)CCCNCC(C3=CC=CC=C3)O)C(=O)O

InChI

InChI=1S/C27H31NO4/c1-19(2)32-26-17-23(14-15-24(26)27(30)31)21-12-10-20(11-13-21)7-6-16-28-18-25(29)22-8-4-3-5-9-22/h3-5,8-15,17,19,25,28-29H,6-7,16,18H2,1-2H3,(H,30,31)