(phenylmethyl) 4-(pyridin-3-ylmethylamino)-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 4-(pyridin-3-ylmethylamino)-1H-pyrrole-2-carboxylate Openeye Name: benzyl 4-(3-pyridylmethylamino)-1H-pyrrole-2-carboxylate CAS Name: 4-(3-pyridinylmethylamino)-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(pyridin-3-ylmethylamino)-1H-pyrrole-2-carboxylate Traditional Name: 4-(3-pyridylmethylamino)-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC(=CN2)NCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC(=CN2)NCC3=CN=CC=C3

InChI

InChI=1S/C18H17N3O2/c22-18(23-13-14-5-2-1-3-6-14)17-9-16(12-21-17)20-11-15-7-4-8-19-10-15/h1-10,12,20-21H,11,13H2