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

Systemtic Name: 4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]phenyl]-2-propan-2-yl-benzoic acid Openeye Name: 4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]phenyl]-2-isopropyl-benzoic acid CAS Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]-2-propan-2-ylbenzoic acid IUPAC Name: 4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]-2-propan-2-ylbenzoic acid Traditional Name: 4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]phenyl]-2-isopropyl-benzoic acid Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)C2=CC=C(C=C2)CC(C)NCC(C3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)C2=CC=C(C=C2)CC(C)NCC(C3=CC=CC=C3)O)C(=O)O

InChI

InChI=1S/C27H31NO3/c1-18(2)25-16-23(13-14-24(25)27(30)31)21-11-9-20(10-12-21)15-19(3)28-17-26(29)22-7-5-4-6-8-22/h4-14,16,18-19,26,28-29H,15,17H2,1-3H3,(H,30,31)