3-[4-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]butanoate

Systemtic Name: 3-[4-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]butanoate Openeye Name: 3-[4-[2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]butanoate CAS Name: 3-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]butanoate IUPAC Name: 3-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]propyl]phenyl]butanoate Traditional Name: 3-[4-[2-[(2-hydroxy-3-phenoxy-propyl)amino]propyl]phenyl]butyrate Formula: C22H28NO4- MolecularWeight: 370.46202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO4/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/h3-11,16-17,20,23-24H,12-15H2,1-2H3,(H,25,26)/p-1