methyl (2S,4S)-1-[(4-ethoxyphenyl)methyl]-4-[(3-oxidanylnaphthalen-2-yl)carbonylamino]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-1-[(4-ethoxyphenyl)methyl]-4-[(3-oxidanylnaphthalen-2-yl)carbonylamino]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-1-[(4-ethoxyphenyl)methyl]-4-[(3-hydroxynaphthalene-2-carbonyl)amino]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-1-[(4-ethoxyphenyl)methyl]-4-[[(3-hydroxy-2-naphthalenyl)-oxomethyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-1-[(4-ethoxyphenyl)methyl]-4-[(3-hydroxynaphthalene-2-carbonyl)amino]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-1-(4-ethoxybenzyl)-4-[(3-hydroxy-2-naphthoyl)amino]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C26H29N2O5+ MolecularWeight: 449.51886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CC(CC2C(=O)OC)NC(=O)C3=CC4=CC=CC=C4C=C3O

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2C[C@H](C[C@H]2C(=O)OC)NC(=O)C3=CC4=CC=CC=C4C=C3O

InChI

InChI=1S/C26H28N2O5/c1-3-33-21-10-8-17(9-11-21)15-28-16-20(14-23(28)26(31)32-2)27-25(30)22-12-18-6-4-5-7-19(18)13-24(22)29/h4-13,20,23,29H,3,14-16H2,1-2H3,(H,27,30)/p+1/t20-,23-/m0/s1