methyl (2S,4R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-[(2-phenylquinolin-4-yl)carbonylamino]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-[(2-phenylquinolin-4-yl)carbonylamino]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-[(4-methoxy-3-methyl-phenyl)methyl]-4-[(2-phenylquinoline-4-carbonyl)amino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[(4-methoxy-3-methylphenyl)methyl]-4-[(2-phenylquinoline-4-carbonyl)amino]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-(4-methoxy-3-methyl-benzyl)-4-[(2-phenylquinoline-4-carbonyl)amino]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C31H32N3O4+ MolecularWeight: 510.60348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C[NH+]2CC(CC2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C[NH+]2C[C@@H](C[C@H]2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5)OC

InChI

InChI=1S/C31H31N3O4/c1-20-15-21(13-14-29(20)37-2)18-34-19-23(16-28(34)31(36)38-3)32-30(35)25-17-27(22-9-5-4-6-10-22)33-26-12-8-7-11-24(25)26/h4-15,17,23,28H,16,18-19H2,1-3H3,(H,32,35)/p+1/t23-,28+/m1/s1