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

Systemtic Name: methyl (2S,4R)-1-[(4-methoxyphenyl)methyl]-4-[(4-phenylphenyl)carbonylamino]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-[(4-methoxyphenyl)methyl]-4-[(4-phenylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-[(4-methoxyphenyl)methyl]-4-[[oxo-(4-phenylphenyl)methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[(4-methoxyphenyl)methyl]-4-[(4-phenylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-p-anisyl-4-[(4-phenylbenzoyl)amino]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C27H29N2O4+ MolecularWeight: 445.53016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O4/c1-32-24-14-8-19(9-15-24)17-29-18-23(16-25(29)27(31)33-2)28-26(30)22-12-10-21(11-13-22)20-6-4-3-5-7-20/h3-15,23,25H,16-18H2,1-2H3,(H,28,30)/p+1/t23-,25+/m1/s1