(2S)-5-ethoxy-5-oxidanylidene-2-[(1R)-1-[(phenylmethyl)amino]ethyl]pentanoic acid

Systemtic Name: (2S)-5-ethoxy-5-oxidanylidene-2-[(1R)-1-[(phenylmethyl)amino]ethyl]pentanoic acid Openeye Name: (2S)-2-[(1R)-1-(benzylamino)ethyl]-5-ethoxy-5-oxo-pentanoic acid CAS Name: (2S)-5-ethoxy-5-oxo-2-[(1R)-1-[(phenylmethyl)amino]ethyl]pentanoic acid IUPAC Name: (2S)-2-[(1R)-1-(benzylamino)ethyl]-5-ethoxy-5-oxopentanoic acid Traditional Name: (2S)-2-[(1R)-1-(benzylamino)ethyl]-5-ethoxy-5-keto-valeric acid Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(C)NCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCOC(=O)CC[C@@H]([C@@H](C)NCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C16H23NO4/c1-3-21-15(18)10-9-14(16(19)20)12(2)17-11-13-7-5-4-6-8-13/h4-8,12,14,17H,3,9-11H2,1-2H3,(H,19,20)/t12-,14+/m1/s1