(E)-3-[4-[2-oxidanyl-3-(4-phenylbutan-2-ylamino)propoxy]phenyl]but-2-enoic acid

Systemtic Name: (E)-3-[4-[2-oxidanyl-3-(4-phenylbutan-2-ylamino)propoxy]phenyl]but-2-enoic acid Openeye Name: (E)-3-[4-[2-hydroxy-3-[(1-methyl-3-phenyl-propyl)amino]propoxy]phenyl]but-2-enoic acid CAS Name: (E)-3-[4-[2-hydroxy-3-(4-phenylbutan-2-ylamino)propoxy]phenyl]-2-butenoic acid IUPAC Name: (E)-3-[4-[2-hydroxy-3-(4-phenylbutan-2-ylamino)propoxy]phenyl]but-2-enoic acid Traditional Name: (E)-3-[4-[2-hydroxy-3-[(1-methyl-3-phenyl-propyl)amino]propoxy]phenyl]but-2-enoic acid Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NCC(COC2=CC=C(C=C2)C(=CC(=O)O)C)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NCC(COC2=CC=C(C=C2)/C(=C/C(=O)O)/C)O

InChI

InChI=1S/C23H29NO4/c1-17(14-23(26)27)20-10-12-22(13-11-20)28-16-21(25)15-24-18(2)8-9-19-6-4-3-5-7-19/h3-7,10-14,18,21,24-25H,8-9,15-16H2,1-2H3,(H,26,27)/b17-14+