(3-phenylmethoxyphenyl)methyl 4-(2,5-dimethylphenyl)piperazine-1-carboxylate

Systemtic Name: (3-phenylmethoxyphenyl)methyl 4-(2,5-dimethylphenyl)piperazine-1-carboxylate Openeye Name: (3-benzyloxyphenyl)methyl 4-(2,5-dimethylphenyl)piperazine-1-carboxylate CAS Name: 4-(2,5-dimethylphenyl)-1-piperazinecarboxylic acid (3-phenylmethoxyphenyl)methyl ester IUPAC Name: (3-phenylmethoxyphenyl)methyl 4-(2,5-dimethylphenyl)piperazine-1-carboxylate Traditional Name: 4-(2,5-dimethylphenyl)piperazine-1-carboxylic acid (3-benzoxybenzyl) ester Formula: C27H30N2O3 MolecularWeight: 430.5387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)OCC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)OCC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3/c1-21-11-12-22(2)26(17-21)28-13-15-29(16-14-28)27(30)32-20-24-9-6-10-25(18-24)31-19-23-7-4-3-5-8-23/h3-12,17-18H,13-16,19-20H2,1-2H3