(phenylmethyl) (2S)-2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[4-(4-methyl-1-piperazinyl)anilino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[4-(4-methylpiperazin-1-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[[4-(4-methylpiperazino)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C24H30N4O3 MolecularWeight: 422.52

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC(=O)[C@@H]3CCCN3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O3/c1-26-14-16-27(17-15-26)21-11-9-20(10-12-21)25-23(29)22-8-5-13-28(22)24(30)31-18-19-6-3-2-4-7-19/h2-4,6-7,9-12,22H,5,8,13-18H2,1H3,(H,25,29)/t22-/m0/s1