(2S)-1-[2-[ethyl-(phenylmethyl)azaniumyl]ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[2-[ethyl-(phenylmethyl)azaniumyl]ethanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[2-[benzyl(ethyl)ammonio]acetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[2-[ethyl-(phenylmethyl)ammonio]-1-oxoethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[2-[benzyl(ethyl)azaniumyl]acetyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[benzyl(ethyl)ammonio]acetyl]pyrrolidine-2-carboxylate Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC(=O)N2CCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C16H22N2O3/c1-2-17(11-13-7-4-3-5-8-13)12-15(19)18-10-6-9-14(18)16(20)21/h3-5,7-8,14H,2,6,9-12H2,1H3,(H,20,21)/t14-/m0/s1