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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)C2=CC=C(C=C2)CC(C)NCC(C3=CC=CC=C3)O)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)C2=CC=C(C=C2)CC(C)NCC(C3=CC=CC=C3)O)C(=O)O

InChI

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