methyl (2S,4S)-4-[(4-methylphenyl)carbonylamino]-1-[(4-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-[(4-methylphenyl)carbonylamino]-1-[(4-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-[(4-methylbenzoyl)amino]-1-(p-tolylmethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-1-[(4-methylphenyl)methyl]-4-[[(4-methylphenyl)-oxomethyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[(4-methylbenzoyl)amino]-1-[(4-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-1-(4-methylbenzyl)-4-(p-toluoylamino)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CC(CC2C(=O)OC)NC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2C[C@H](C[C@H]2C(=O)OC)NC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H26N2O3/c1-15-4-8-17(9-5-15)13-24-14-19(12-20(24)22(26)27-3)23-21(25)18-10-6-16(2)7-11-18/h4-11,19-20H,12-14H2,1-3H3,(H,23,25)/p+1/t19-,20-/m0/s1