[1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] benzoate

Systemtic Name: [1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] benzoate Openeye Name: [1-(carbazol-9-ylmethyl)-2-[4-[(E)-cinnamyl]piperazin-1-yl]ethyl] benzoate CAS Name: benzoic acid [1-(9-carbazolyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]propan-2-yl] ester IUPAC Name: [1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-yl] benzoate Traditional Name: benzoic acid [1-(carbazol-9-ylmethyl)-2-[4-[(E)-cinnamyl]piperazino]ethyl] ester Formula: C35H35N3O2 MolecularWeight: 529.6713

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)OC(=O)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)CC(CN3C4=CC=CC=C4C5=CC=CC=C53)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C35H35N3O2/c39-35(29-15-5-2-6-16-29)40-30(27-38-33-19-9-7-17-31(33)32-18-8-10-20-34(32)38)26-37-24-22-36(23-25-37)21-11-14-28-12-3-1-4-13-28/h1-20,30H,21-27H2/b14-11+