1-[(3-methoxy-4-oxidanyl-phenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-methoxy-4-oxidanyl-phenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-hydroxy-3-methoxy-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-hydroxy-3-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-vanillylproline Formula: C13H17NO4 MolecularWeight: 251.27838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCCC2C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCCC2C(=O)O)O

InChI

InChI=1S/C13H17NO4/c1-18-12-7-9(4-5-11(12)15)8-14-6-2-3-10(14)13(16)17/h4-5,7,10,15H,2-3,6,8H2,1H3,(H,16,17)