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

Systemtic Name: methyl (2S,4R)-1-[(2-ethoxyphenyl)methyl]-4-[(4-methylphenyl)carbonylamino]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-[(2-ethoxyphenyl)methyl]-4-[(4-methylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-[(2-ethoxyphenyl)methyl]-4-[[(4-methylphenyl)-oxomethyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[(2-ethoxyphenyl)methyl]-4-[(4-methylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-(2-ethoxybenzyl)-4-(p-toluoylamino)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CC(CC2C(=O)OC)NC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2C[C@@H](C[C@H]2C(=O)OC)NC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H28N2O4/c1-4-29-21-8-6-5-7-18(21)14-25-15-19(13-20(25)23(27)28-3)24-22(26)17-11-9-16(2)10-12-17/h5-12,19-20H,4,13-15H2,1-3H3,(H,24,26)/p+1/t19-,20+/m1/s1