methyl (2S,4R)-4-[(4-methylphenyl)carbonylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-[(4-methylphenyl)carbonylamino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4R)-4-[(4-methylbenzoyl)amino]-1-(1-propyl-4-piperidyl)pyrrolidine-2-carboxylate CAS Name: (2S,4R)-4-[[(4-methylphenyl)-oxomethyl]amino]-1-(1-propyl-4-piperidinyl)-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[(4-methylbenzoyl)amino]-1-(1-propylpiperidin-4-yl)pyrrolidine-2-carboxylate Traditional Name: (2S,4R)-1-(1-propyl-4-piperidyl)-4-(p-toluoylamino)pyrrolidine-2-carboxylic acid methyl ester Formula: C22H33N3O3 MolecularWeight: 387.51572

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)N2CC(CC2C(=O)OC)NC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCN1CCC(CC1)N2C[C@@H](C[C@H]2C(=O)OC)NC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H33N3O3/c1-4-11-24-12-9-19(10-13-24)25-15-18(14-20(25)22(27)28-3)23-21(26)17-7-5-16(2)6-8-17/h5-8,18-20H,4,9-15H2,1-3H3,(H,23,26)/t18-,20+/m1/s1