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

Systemtic Name: methyl (2S,4R)-4-[(3-methoxyphenyl)carbonylamino]-1-(naphthalen-1-ylmethyl)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-[(3-methoxybenzoyl)amino]-1-(1-naphthylmethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[[(3-methoxyphenyl)-oxomethyl]amino]-1-(1-naphthalenylmethyl)-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[(3-methoxybenzoyl)amino]-1-(naphthalen-1-ylmethyl)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-4-(m-anisoylamino)-1-(1-naphthylmethyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2CC([NH+](C2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N[C@@H]2C[C@H]([NH+](C2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C25H26N2O4/c1-30-21-11-6-9-18(13-21)24(28)26-20-14-23(25(29)31-2)27(16-20)15-19-10-5-8-17-7-3-4-12-22(17)19/h3-13,20,23H,14-16H2,1-2H3,(H,26,28)/p+1/t20-,23+/m1/s1