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

Systemtic Name: 4-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenyl-but-1-enyl]benzene-1,2-diol Openeye Name: 4-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenyl-but-1-enyl]benzene-1,2-diol CAS Name: 4-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenylbut-1-enyl]benzene-1,2-diol IUPAC Name: 4-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenylbut-1-enyl]benzene-1,2-diol Traditional Name: 4-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenyl-but-1-enyl]pyrocatechol Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC(=C(C=C2)O)O)C3=CC=CC=C3

Isomeric SMILES

CC/C(=C(/C1=CC=C(C=C1)OCCN(C)C)\C2=CC(=C(C=C2)O)O)/C3=CC=CC=C3

InChI

InChI=1S/C26H29NO3/c1-4-23(19-8-6-5-7-9-19)26(21-12-15-24(28)25(29)18-21)20-10-13-22(14-11-20)30-17-16-27(2)3/h5-15,18,28-29H,4,16-17H2,1-3H3/b26-23+