2-but-3-enyl-4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]phenyl]benzoic acid

Systemtic Name: 2-but-3-enyl-4-[4-[2-[(2-oxidanyl-2-phenyl-ethyl)amino]propyl]phenyl]benzoic acid Openeye Name: 2-but-3-enyl-4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]phenyl]benzoic acid CAS Name: 2-but-3-enyl-4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]benzoic acid IUPAC Name: 2-but-3-enyl-4-[4-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]phenyl]benzoic acid Traditional Name: 2-but-3-enyl-4-[4-[2-[(2-hydroxy-2-phenyl-ethyl)amino]propyl]phenyl]benzoic acid Formula: C28H31NO3 MolecularWeight: 429.55064

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)CCC=C)NCC(C3=CC=CC=C3)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)CCC=C)NCC(C3=CC=CC=C3)O

InChI

InChI=1S/C28H31NO3/c1-3-4-8-25-18-24(15-16-26(25)28(31)32)22-13-11-21(12-14-22)17-20(2)29-19-27(30)23-9-6-5-7-10-23/h3,5-7,9-16,18,20,27,29-30H,1,4,8,17,19H2,2H3,(H,31,32)