methyl (2S,4R)-4-[(2-cyclopropylquinolin-4-yl)carbonylamino]-1-[(3-methoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-4-[(2-cyclopropylquinolin-4-yl)carbonylamino]-1-[(3-methoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-[(3-methoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[[(2-cyclopropyl-4-quinolinyl)-oxomethyl]amino]-1-[(3-methoxyphenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-[(3-methoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-m-anisyl-pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C27H30N3O4+ MolecularWeight: 460.5448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CC(CC2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2C[C@@H](C[C@H]2C(=O)OC)NC(=O)C3=CC(=NC4=CC=CC=C43)C5CC5

InChI

InChI=1S/C27H29N3O4/c1-33-20-7-5-6-17(12-20)15-30-16-19(13-25(30)27(32)34-2)28-26(31)22-14-24(18-10-11-18)29-23-9-4-3-8-21(22)23/h3-9,12,14,18-19,25H,10-11,13,15-16H2,1-2H3,(H,28,31)/p+1/t19-,25+/m1/s1