4-[(E)-4-chloranyl-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenyl-but-1-enyl]benzene-1,2-diol

Systemtic Name: 4-[(E)-4-chloranyl-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenyl-but-1-enyl]benzene-1,2-diol Openeye Name: 4-[(E)-4-chloro-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenyl-but-1-enyl]benzene-1,2-diol CAS Name: 4-[(E)-4-chloro-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenylbut-1-enyl]benzene-1,2-diol IUPAC Name: 4-[(E)-4-chloro-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenylbut-1-enyl]benzene-1,2-diol Traditional Name: 4-[(E)-4-chloro-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenyl-but-1-enyl]pyrocatechol Formula: C26H28ClNO3 MolecularWeight: 437.95842

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C26H28ClNO3/c1-28(2)16-17-31-22-11-8-20(9-12-22)26(21-10-13-24(29)25(30)18-21)23(14-15-27)19-6-4-3-5-7-19/h3-13,18,29-30H,14-17H2,1-2H3/b26-23+