methyl (2S,4S)-4-[(3-chlorophenyl)carbonylamino]-1-(1-phenethylpiperidin-4-yl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-[(3-chlorophenyl)carbonylamino]-1-(1-phenethylpiperidin-4-yl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S)-4-[(3-chlorobenzoyl)amino]-1-(1-phenethyl-4-piperidyl)pyrrolidine-2-carboxylate CAS Name: (2S,4S)-4-[[(3-chlorophenyl)-oxomethyl]amino]-1-(1-phenethyl-4-piperidinyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[(3-chlorobenzoyl)amino]-1-(1-phenethylpiperidin-4-yl)pyrrolidine-2-carboxylate Traditional Name: (2S,4S)-4-[(3-chlorobenzoyl)amino]-1-(1-phenethyl-4-piperidyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C26H32ClN3O3 MolecularWeight: 470.00358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(CN1C2CCN(CC2)CCC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](CN1C2CCN(CC2)CCC3=CC=CC=C3)NC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C26H32ClN3O3/c1-33-26(32)24-17-22(28-25(31)20-8-5-9-21(27)16-20)18-30(24)23-11-14-29(15-12-23)13-10-19-6-3-2-4-7-19/h2-9,16,22-24H,10-15,17-18H2,1H3,(H,28,31)/t22-,24-/m0/s1