ethyl 2,4-dimethyl-5-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[2-(1-piperidylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[2-(1-piperidinylmethyl)phenyl]methylamino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[2-(piperidin-1-ylmethyl)phenyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[2-(piperidinomethyl)benzyl]carbamoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC2=CC=CC=C2CN3CCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NCC2=CC=CC=C2CN3CCCCC3)C

InChI

InChI=1S/C23H31N3O3/c1-4-29-23(28)20-16(2)21(25-17(20)3)22(27)24-14-18-10-6-7-11-19(18)15-26-12-8-5-9-13-26/h6-7,10-11,25H,4-5,8-9,12-15H2,1-3H3,(H,24,27)