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

Systemtic Name: methyl (2S,4S)-1-[(3-methoxy-4-oxidanyl-phenyl)methyl]-4-[(2-phenylphenyl)carbonylamino]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-1-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-[(2-phenylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[[oxo-(2-phenylphenyl)methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[(2-phenylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-[(2-phenylbenzoyl)amino]-1-vanillyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C27H29N2O5+ MolecularWeight: 461.52956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CC(CC2C(=O)OC)NC(=O)C3=CC=CC=C3C4=CC=CC=C4)O

Isomeric SMILES

COC1=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/C27H28N2O5/c1-33-25-14-18(12-13-24(25)30)16-29-17-20(15-23(29)27(32)34-2)28-26(31)22-11-7-6-10-21(22)19-8-4-3-5-9-19/h3-14,20,23,30H,15-17H2,1-2H3,(H,28,31)/p+1/t20-,23-/m0/s1