methyl (2S,4S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-(quinolin-2-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-(quinolin-2-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]-4-(quinoline-2-carbonylamino)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-[[oxo(2-quinolinyl)methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-(quinoline-2-carbonylamino)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-1-(4-methoxy-2,5-dimethyl-benzyl)-4-(quinaldoylamino)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C26H30N3O4+ MolecularWeight: 448.5341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC(CC2C(=O)OC)NC(=O)C3=NC4=CC=CC=C4C=C3)C)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2C[C@H](C[C@H]2C(=O)OC)NC(=O)C3=NC4=CC=CC=C4C=C3)C)OC

InChI

InChI=1S/C26H29N3O4/c1-16-12-24(32-3)17(2)11-19(16)14-29-15-20(13-23(29)26(31)33-4)27-25(30)22-10-9-18-7-5-6-8-21(18)28-22/h5-12,20,23H,13-15H2,1-4H3,(H,27,30)/p+1/t20-,23-/m0/s1