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

Systemtic Name: methyl (2S,4R)-4-[(2-cyclopropylquinolin-4-yl)carbonylamino]-1-[(4-methoxy-3-methyl-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-[(4-methoxy-3-methyl-phenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[[(2-cyclopropyl-4-quinolinyl)-oxomethyl]amino]-1-[(4-methoxy-3-methylphenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-(4-methoxy-3-methyl-benzyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C28H32N3O4+ MolecularWeight: 474.57138

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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)C5CC5)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)C5CC5)OC

InChI

InChI=1S/C28H31N3O4/c1-17-12-18(8-11-26(17)34-2)15-31-16-20(13-25(31)28(33)35-3)29-27(32)22-14-24(19-9-10-19)30-23-7-5-4-6-21(22)23/h4-8,11-12,14,19-20,25H,9-10,13,15-16H2,1-3H3,(H,29,32)/p+1/t20-,25+/m1/s1