(phenylmethyl) 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: benzyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[4-(2,3,4-trimethoxybenzyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H35N3O6 MolecularWeight: 497.5833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3CCCN3C(=O)OCC4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3CCCN3C(=O)OCC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H35N3O6/c1-33-23-12-11-21(24(34-2)25(23)35-3)18-28-14-16-29(17-15-28)26(31)22-10-7-13-30(22)27(32)36-19-20-8-5-4-6-9-20/h4-6,8-9,11-12,22H,7,10,13-19H2,1-3H3