methyl (2S,4S)-4-[(2-cyclopropylquinolin-4-yl)carbonylamino]-1-(naphthalen-2-ylmethyl)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-[(2-cyclopropylquinolin-4-yl)carbonylamino]-1-(naphthalen-2-ylmethyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-(2-naphthylmethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[[(2-cyclopropyl-4-quinolinyl)-oxomethyl]amino]-1-(2-naphthalenylmethyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-(naphthalen-2-ylmethyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-[(2-cyclopropylquinoline-4-carbonyl)amino]-1-(2-naphthylmethyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C30H30N3O3+ MolecularWeight: 480.5775

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(C[NH+]1CC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC(=NC5=CC=CC=C54)C6CC6

Isomeric SMILES

COC(=O)[C@@H]1C[C@@H](C[NH+]1CC2=CC3=CC=CC=C3C=C2)NC(=O)C4=CC(=NC5=CC=CC=C54)C6CC6

InChI

InChI=1S/C30H29N3O3/c1-36-30(35)28-15-23(18-33(28)17-19-10-11-20-6-2-3-7-22(20)14-19)31-29(34)25-16-27(21-12-13-21)32-26-9-5-4-8-24(25)26/h2-11,14,16,21,23,28H,12-13,15,17-18H2,1H3,(H,31,34)/p+1/t23-,28-/m0/s1