methyl (2S,4R)-4-(2,2-diphenylethanoylamino)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-(2,2-diphenylethanoylamino)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-[(2,2-diphenylacetyl)amino]-1-[(4-hydroxy-3-methoxy-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(1-oxo-2,2-diphenylethyl)amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[(2,2-diphenylacetyl)amino]-1-[(4-hydroxy-3-methoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-[(2,2-diphenylacetyl)amino]-1-vanillyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C28H31N2O5+ MolecularWeight: 475.55614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CC(CC2C(=O)OC)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2C[C@@H](C[C@H]2C(=O)OC)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C28H30N2O5/c1-34-25-15-19(13-14-24(25)31)17-30-18-22(16-23(30)28(33)35-2)29-27(32)26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-15,22-23,26,31H,16-18H2,1-2H3,(H,29,32)/p+1/t22-,23+/m1/s1