3-chloranyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenethyl-pyrrole-2,5-dione

Systemtic Name: 3-chloranyl-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenethyl-pyrrole-2,5-dione Openeye Name: 3-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenethyl-pyrrole-2,5-dione CAS Name: 3-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenethylpyrrole-2,5-dione IUPAC Name: 3-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1-phenethylpyrrole-2,5-dione Traditional Name: 3-chloro-4-(homoveratrylamino)-1-phenethyl-3-pyrroline-2,5-quinone Formula: C22H23ClN2O4 MolecularWeight: 414.88202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C(=O)N(C2=O)CCC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C22H23ClN2O4/c1-28-17-9-8-16(14-18(17)29-2)10-12-24-20-19(23)21(26)25(22(20)27)13-11-15-6-4-3-5-7-15/h3-9,14,24H,10-13H2,1-2H3