(phenylmethyl) 3-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 3-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]pyrrolidine-1-carboxylate CAS Name: 3-(3-methoxyphenyl)-4-[(4-phenyl-1-piperazinyl)methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-methoxyphenyl)-4-[(4-phenylpiperazin-1-yl)methyl]pyrrolidine-1-carboxylate Traditional Name: 3-(3-methoxyphenyl)-4-[(4-phenylpiperazino)methyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C30H35N3O3 MolecularWeight: 485.6172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CN(CC2CN3CCN(CC3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2CN(CC2CN3CCN(CC3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H35N3O3/c1-35-28-14-8-11-25(19-28)29-22-33(30(34)36-23-24-9-4-2-5-10-24)21-26(29)20-31-15-17-32(18-16-31)27-12-6-3-7-13-27/h2-14,19,26,29H,15-18,20-23H2,1H3