(3S)-5-oxidanylidene-1-[(4-pentoxyphenyl)methyl]pyrrolidine-3-carboxylate

Systemtic Name: (3S)-5-oxidanylidene-1-[(4-pentoxyphenyl)methyl]pyrrolidine-3-carboxylate Openeye Name: (3S)-5-oxo-1-[(4-pentoxyphenyl)methyl]pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-[(4-pentoxyphenyl)methyl]-3-pyrrolidinecarboxylate IUPAC Name: (3S)-5-oxo-1-[(4-pentoxyphenyl)methyl]pyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-amoxybenzyl)-5-keto-pyrrolidine-3-carboxylate Formula: C17H22NO4- MolecularWeight: 304.36088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)CN2C[C@H](CC2=O)C(=O)[O-]

InChI

InChI=1S/C17H23NO4/c1-2-3-4-9-22-15-7-5-13(6-8-15)11-18-12-14(17(20)21)10-16(18)19/h5-8,14H,2-4,9-12H2,1H3,(H,20,21)/p-1/t14-/m0/s1