methyl 5-azanyl-2-oxidanylidene-1-(4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxylate

Systemtic Name: methyl 5-azanyl-2-oxidanylidene-1-(4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxylate Openeye Name: methyl 5-amino-2-oxo-1-[4-(1-piperidyl)phenyl]-3H-pyrrole-4-carboxylate CAS Name: 5-amino-2-oxo-1-[4-(1-piperidinyl)phenyl]-3H-pyrrole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-amino-2-oxo-1-(4-piperidin-1-ylphenyl)-3H-pyrrole-4-carboxylate Traditional Name: 2-amino-5-keto-1-(4-piperidinophenyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C17H21N3O3 MolecularWeight: 315.36694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C(=O)C1)C2=CC=C(C=C2)N3CCCCC3)N

Isomeric SMILES

COC(=O)C1=C(N(C(=O)C1)C2=CC=C(C=C2)N3CCCCC3)N

InChI

InChI=1S/C17H21N3O3/c1-23-17(22)14-11-15(21)20(16(14)18)13-7-5-12(6-8-13)19-9-3-2-4-10-19/h5-8H,2-4,9-11,18H2,1H3