methyl (2S,4R)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-4-[(2-phenylphenyl)carbonylamino]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-[(3-ethoxy-4-oxidanyl-phenyl)methyl]-4-[(2-phenylphenyl)carbonylamino]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-[(3-ethoxy-4-hydroxy-phenyl)methyl]-4-[(2-phenylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-[[oxo-(2-phenylphenyl)methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-4-[(2-phenylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-(3-ethoxy-4-hydroxy-benzyl)-4-[(2-phenylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C28H31N2O5+ MolecularWeight: 475.55614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CC(CC2C(=O)OC)NC(=O)C3=CC=CC=C3C4=CC=CC=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O5/c1-3-35-26-15-19(13-14-25(26)31)17-30-18-21(16-24(30)28(33)34-2)29-27(32)23-12-8-7-11-22(23)20-9-5-4-6-10-20/h4-15,21,24,31H,3,16-18H2,1-2H3,(H,29,32)/p+1/t21-,24+/m1/s1