dimethyl (2S)-2-[(4-aminophenyl)methyl]-2-oxidanyl-butanedioate

Systemtic Name: dimethyl (2S)-2-[(4-aminophenyl)methyl]-2-oxidanyl-butanedioate Openeye Name: dimethyl (2S)-2-[(4-aminophenyl)methyl]-2-hydroxy-butanedioate CAS Name: (2S)-2-[(4-aminophenyl)methyl]-2-hydroxybutanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[(4-aminophenyl)methyl]-2-hydroxybutanedioate Traditional Name: (2S)-2-(4-aminobenzyl)-2-hydroxy-succinic acid dimethyl ester Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC1=CC=C(C=C1)N)(C(=O)OC)O

Isomeric SMILES

COC(=O)C[C@@](CC1=CC=C(C=C1)N)(C(=O)OC)O

InChI

InChI=1S/C13H17NO5/c1-18-11(15)8-13(17,12(16)19-2)7-9-3-5-10(14)6-4-9/h3-6,17H,7-8,14H2,1-2H3/t13-/m0/s1