(phenylmethyl) 2-[[(2S)-4-phenyl-1-[(4-piperidin-1-ylphenyl)amino]butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[(2S)-4-phenyl-1-[(4-piperidin-1-ylphenyl)amino]butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[(1S)-3-phenyl-1-[[4-(1-piperidyl)anilino]methyl]propyl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[[(2S)-4-phenyl-1-[4-(1-piperidinyl)anilino]butan-2-yl]amino]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(2S)-4-phenyl-1-(4-piperidin-1-ylanilino)butan-2-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[(1S)-3-phenyl-1-[(4-piperidinoanilino)methyl]propyl]carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C34H42N4O3 MolecularWeight: 554.72228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NCC(CCC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC[C@H](CCC3=CC=CC=C3)NC(=O)C4CCCN4C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C34H42N4O3/c39-33(32-15-10-24-38(32)34(40)41-26-28-13-6-2-7-14-28)36-30(17-16-27-11-4-1-5-12-27)25-35-29-18-20-31(21-19-29)37-22-8-3-9-23-37/h1-2,4-7,11-14,18-21,30,32,35H,3,8-10,15-17,22-26H2,(H,36,39)/t30-,32?/m0/s1