O1-tert-butyl O5-ethyl (2S)-2-[(1R)-1-[(phenylmethyl)amino]ethyl]pentanedioate

Systemtic Name: O1-tert-butyl O5-ethyl (2S)-2-[(1R)-1-[(phenylmethyl)amino]ethyl]pentanedioate Openeye Name: O1-tert-butyl O5-ethyl (2S)-2-[(1R)-1-(benzylamino)ethyl]pentanedioate CAS Name: (2S)-2-[(1R)-1-[(phenylmethyl)amino]ethyl]pentanedioic acid O1-tert-butyl ester O5-ethyl ester IUPAC Name: 1-O-tert-butyl 5-O-ethyl (2S)-2-[(1R)-1-(benzylamino)ethyl]pentanedioate Traditional Name: (2S)-2-[(1R)-1-(benzylamino)ethyl]glutaric acid O1-tert-butyl ester O5-ethyl ester Formula: C20H31NO4 MolecularWeight: 349.46444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO4/c1-6-24-18(22)13-12-17(19(23)25-20(3,4)5)15(2)21-14-16-10-8-7-9-11-16/h7-11,15,17,21H,6,12-14H2,1-5H3/t15-,17+/m1/s1