2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl 4-(2,4-dimethylphenyl)piperazine-1-carboxylate

Systemtic Name: 2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl 4-(2,4-dimethylphenyl)piperazine-1-carboxylate Openeye Name: 2-[4-(benzofuran-2-ylmethyl)piperazin-1-yl]ethyl 4-(2,4-dimethylphenyl)piperazine-1-carboxylate CAS Name: 4-(2,4-dimethylphenyl)-1-piperazinecarboxylic acid 2-[4-(2-benzofuranylmethyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl 4-(2,4-dimethylphenyl)piperazine-1-carboxylate Traditional Name: 4-(2,4-dimethylphenyl)piperazine-1-carboxylic acid 2-[4-(benzofuran-2-ylmethyl)piperazino]ethyl ester Formula: C28H36N4O3 MolecularWeight: 476.61044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)OCCN3CCN(CC3)CC4=CC5=CC=CC=C5O4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)OCCN3CCN(CC3)CC4=CC5=CC=CC=C5O4)C

InChI

InChI=1S/C28H36N4O3/c1-22-7-8-26(23(2)19-22)31-13-15-32(16-14-31)28(33)34-18-17-29-9-11-30(12-10-29)21-25-20-24-5-3-4-6-27(24)35-25/h3-8,19-20H,9-18,21H2,1-2H3