4-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenyl-but-1-enyl]benzoate

Systemtic Name: 4-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenyl-but-1-enyl]benzoate Openeye Name: 4-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenyl-but-1-enyl]benzoate CAS Name: 4-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenylbut-1-enyl]benzoate IUPAC Name: 4-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenylbut-1-enyl]benzoate Traditional Name: 4-[(E)-1-[4-(2-dimethylaminoethyloxy)phenyl]-2-phenyl-but-1-enyl]benzoate Formula: C27H28NO3- MolecularWeight: 414.51612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)C(=O)[O-])C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO3/c1-4-25(20-8-6-5-7-9-20)26(21-10-12-23(13-11-21)27(29)30)22-14-16-24(17-15-22)31-19-18-28(2)3/h5-17H,4,18-19H2,1-3H3,(H,29,30)/p-1/b26-25+