methyl (E)-3-[4-[2-[bis[2-(6-chloranylpyridin-2-yl)-2-oxidanyl-ethyl]amino]propyl]phenyl]but-2-enoate

Systemtic Name: methyl (E)-3-[4-[2-[bis[2-(6-chloranylpyridin-2-yl)-2-oxidanyl-ethyl]amino]propyl]phenyl]but-2-enoate Openeye Name: methyl (E)-3-[4-[2-[bis[2-(6-chloro-2-pyridyl)-2-hydroxy-ethyl]amino]propyl]phenyl]but-2-enoate CAS Name: (E)-3-[4-[2-[bis[2-(6-chloro-2-pyridinyl)-2-hydroxyethyl]amino]propyl]phenyl]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[2-[bis[2-(6-chloropyridin-2-yl)-2-hydroxyethyl]amino]propyl]phenyl]but-2-enoate Traditional Name: (E)-3-[4-[2-[bis[2-(6-chloro-2-pyridyl)-2-hydroxy-ethyl]amino]propyl]phenyl]but-2-enoic acid methyl ester Formula: C28H31Cl2N3O4 MolecularWeight: 544.46944

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(=CC(=O)OC)C)N(CC(C2=NC(=CC=C2)Cl)O)CC(C3=NC(=CC=C3)Cl)O

Isomeric SMILES

CC(CC1=CC=C(C=C1)/C(=C/C(=O)OC)/C)N(CC(C2=NC(=CC=C2)Cl)O)CC(C3=NC(=CC=C3)Cl)O

InChI

InChI=1S/C28H31Cl2N3O4/c1-18(14-28(36)37-3)21-12-10-20(11-13-21)15-19(2)33(16-24(34)22-6-4-8-26(29)31-22)17-25(35)23-7-5-9-27(30)32-23/h4-14,19,24-25,34-35H,15-17H2,1-3H3/b18-14+