methyl (2S,4R)-1-[(2-ethoxyphenyl)methyl]-4-(naphthalen-1-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4R)-1-[(2-ethoxyphenyl)methyl]-4-(naphthalen-1-ylcarbonylamino)pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4R)-1-[(2-ethoxyphenyl)methyl]-4-(naphthalene-1-carbonylamino)pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4R)-1-[(2-ethoxyphenyl)methyl]-4-[[1-naphthalenyl(oxo)methyl]amino]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4R)-1-[(2-ethoxyphenyl)methyl]-4-(naphthalene-1-carbonylamino)pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4R)-1-(2-ethoxybenzyl)-4-(1-naphthoylamino)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C26H29N2O4+ MolecularWeight: 433.51946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C[NH+]2CC(CC2C(=O)OC)NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC=CC=C1C[NH+]2C[C@@H](C[C@H]2C(=O)OC)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H28N2O4/c1-3-32-24-14-7-5-10-19(24)16-28-17-20(15-23(28)26(30)31-2)27-25(29)22-13-8-11-18-9-4-6-12-21(18)22/h4-14,20,23H,3,15-17H2,1-2H3,(H,27,29)/p+1/t20-,23+/m1/s1