(phenylmethyl) 3-pyrrolidin-2-ylcarbonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-pyrrolidin-2-ylcarbonyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxylate Openeye Name: benzyl 3-(pyrrolidine-2-carbonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxylate CAS Name: 3-[oxo(2-pyrrolidinyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(pyrrolidine-2-carbonyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 3-prolyl-4-(2,3,4-trimethoxybenzyl)piperazine-1-carboxylic acid benzyl ester Formula: C27H35N3O6 MolecularWeight: 497.5833

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2C(=O)C3CCCN3)C(=O)OCC4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2C(=O)C3CCCN3)C(=O)OCC4=CC=CC=C4)OC)OC

InChI

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