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

Systemtic Name: methyl (2S,4R)-1-[(4-ethoxyphenyl)methyl]-4-[(2-phenylphenyl)carbonylamino]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-[(4-ethoxyphenyl)methyl]-4-[(2-phenylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-[(4-ethoxyphenyl)methyl]-4-[[oxo-(2-phenylphenyl)methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[(4-ethoxyphenyl)methyl]-4-[(2-phenylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-(4-ethoxybenzyl)-4-[(2-phenylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C28H31N2O4+ MolecularWeight: 459.55674

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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=C3C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2C[C@@H](C[C@H]2C(=O)OC)NC(=O)C3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O4/c1-3-34-23-15-13-20(14-16-23)18-30-19-22(17-26(30)28(32)33-2)29-27(31)25-12-8-7-11-24(25)21-9-5-4-6-10-21/h4-16,22,26H,3,17-19H2,1-2H3,(H,29,31)/p+1/t22-,26+/m1/s1