3-phenylprop-2-ynyl 4-(2,4-dimethylphenyl)piperazine-1-carboxylate

Systemtic Name: 3-phenylprop-2-ynyl 4-(2,4-dimethylphenyl)piperazine-1-carboxylate Openeye Name: 3-phenylprop-2-ynyl 4-(2,4-dimethylphenyl)piperazine-1-carboxylate CAS Name: 4-(2,4-dimethylphenyl)-1-piperazinecarboxylic acid 3-phenylprop-2-ynyl ester IUPAC Name: 3-phenylprop-2-ynyl 4-(2,4-dimethylphenyl)piperazine-1-carboxylate Traditional Name: 4-(2,4-dimethylphenyl)piperazine-1-carboxylic acid 3-phenylprop-2-ynyl ester Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)OCC#CC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)OCC#CC3=CC=CC=C3)C

InChI

InChI=1S/C22H24N2O2/c1-18-10-11-21(19(2)17-18)23-12-14-24(15-13-23)22(25)26-16-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,12-16H2,1-2H3