(phenylmethyl) (2R,3S)-2-(2-ethoxy-2-oxidanylidene-ethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2R,3S)-2-(2-ethoxy-2-oxidanylidene-ethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2R,3S)-2-(2-ethoxy-2-oxo-ethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-1-carboxylate CAS Name: (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-(4-phenyl-1-piperazinyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2R,3S)-2-(2-ethoxy-2-oxoethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-1-carboxylate Traditional Name: (2R,3S)-2-(2-ethoxy-2-keto-ethyl)-3-(4-phenylpiperazino)pyrrolidine-1-carboxylic acid benzyl ester Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(CCN1C(=O)OCC2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C[C@@H]1[C@H](CCN1C(=O)OCC2=CC=CC=C2)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O4/c1-2-32-25(30)19-24-23(28-17-15-27(16-18-28)22-11-7-4-8-12-22)13-14-29(24)26(31)33-20-21-9-5-3-6-10-21/h3-12,23-24H,2,13-20H2,1H3/t23-,24+/m0/s1