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

Systemtic Name: methyl (2S,4R)-4-[(4-methoxyphenyl)carbonylamino]-1-[(3-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-4-[(4-methoxybenzoyl)amino]-1-(m-tolylmethyl)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-4-[[(4-methoxyphenyl)-oxomethyl]amino]-1-[(3-methylphenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-4-[(4-methoxybenzoyl)amino]-1-[(3-methylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-(3-methylbenzyl)-4-(p-anisoylamino)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CC(CC2C(=O)OC)NC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2C[C@@H](C[C@H]2C(=O)OC)NC(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N2O4/c1-15-5-4-6-16(11-15)13-24-14-18(12-20(24)22(26)28-3)23-21(25)17-7-9-19(27-2)10-8-17/h4-11,18,20H,12-14H2,1-3H3,(H,23,25)/p+1/t18-,20+/m1/s1