(E)-3-[4-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]but-2-enoate

Systemtic Name: (E)-3-[4-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]but-2-enoate Openeye Name: (E)-3-[4-[2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]but-2-enoate CAS Name: (E)-3-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]-2-butenoate IUPAC Name: (E)-3-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]but-2-enoate Traditional Name: (E)-3-[4-[2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]but-2-enoate Formula: C22H26NO4- MolecularWeight: 368.44614

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=CC(=O)[O-])C)NCC(COC2=CC=CC=C2)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)/C(=C/C(=O)[O-])/C)NCC(COC2=CC=CC=C2)O

InChI

InChI=1S/C22H27NO4/c1-16(12-22(25)26)19-10-8-18(9-11-19)13-17(2)23-14-20(24)15-27-21-6-4-3-5-7-21/h3-12,17,20,23-24H,13-15H2,1-2H3,(H,25,26)/p-1/b16-12+