methyl 4-[(3S,4R)-4-azanylpyrrolidin-3-yl]benzoate

Systemtic Name: methyl 4-[(3S,4R)-4-azanylpyrrolidin-3-yl]benzoate Openeye Name: methyl 4-[(3S,4R)-4-aminopyrrolidin-3-yl]benzoate CAS Name: 4-[(3S,4R)-4-amino-3-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3S,4R)-4-aminopyrrolidin-3-yl]benzoate Traditional Name: 4-[(3S,4R)-4-aminopyrrolidin-3-yl]benzoic acid methyl ester Formula: C12H16N2O2 MolecularWeight: 220.26764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2CNCC2N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@H]2CNC[C@@H]2N

InChI

InChI=1S/C12H16N2O2/c1-16-12(15)9-4-2-8(3-5-9)10-6-14-7-11(10)13/h2-5,10-11,14H,6-7,13H2,1H3/t10-,11+/m1/s1