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

Systemtic Name: methyl (2S,4R)-1-[(4-ethoxyphenyl)methyl]-4-[(2-pyrazol-1-ylphenyl)carbonylamino]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-[(4-ethoxyphenyl)methyl]-4-[(2-pyrazol-1-ylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-[(4-ethoxyphenyl)methyl]-4-[[oxo-[2-(1-pyrazolyl)phenyl]methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[(4-ethoxyphenyl)methyl]-4-[(2-pyrazol-1-ylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-(4-ethoxybenzyl)-4-[(2-pyrazol-1-ylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C25H29N4O4+ MolecularWeight: 449.52216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CC(CC2C(=O)OC)NC(=O)C3=CC=CC=C3N4C=CC=N4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2C[C@@H](C[C@H]2C(=O)OC)NC(=O)C3=CC=CC=C3N4C=CC=N4

InChI

InChI=1S/C25H28N4O4/c1-3-33-20-11-9-18(10-12-20)16-28-17-19(15-23(28)25(31)32-2)27-24(30)21-7-4-5-8-22(21)29-14-6-13-26-29/h4-14,19,23H,3,15-17H2,1-2H3,(H,27,30)/p+1/t19-,23+/m1/s1