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

Systemtic Name: methyl (E)-3-[4-[2-[(2-oxidanyl-3-phenoxy-propyl)amino]propyl]phenyl]but-2-enoate Openeye Name: methyl (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-butenoic acid methyl ester IUPAC Name: methyl (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-enoic acid methyl ester Formula: C23H29NO4 MolecularWeight: 383.48066

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=CC(=O)OC)C)NCC(COC2=CC=CC=C2)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)/C(=C/C(=O)OC)/C)NCC(COC2=CC=CC=C2)O

InChI

InChI=1S/C23H29NO4/c1-17(13-23(26)27-3)20-11-9-19(10-12-20)14-18(2)24-15-21(25)16-28-22-7-5-4-6-8-22/h4-13,18,21,24-25H,14-16H2,1-3H3/b17-13+