N-[(4-butoxy-3-methoxy-phenyl)methyl]-4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[(4-butoxy-3-methoxy-phenyl)methyl]-4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxamide Openeye Name: 4-acetyl-N-[(4-butoxy-3-methoxy-phenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide CAS Name: 4-acetyl-N-[(4-butoxy-3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide IUPAC Name: 4-acetyl-N-[(4-butoxy-3-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide Traditional Name: 4-acetyl-N-(4-butoxy-3-methoxy-benzyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CNC(=O)C2=C(C(=C(N2)C)C(=O)C)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CNC(=O)C2=C(C(=C(N2)C)C(=O)C)C)OC

InChI

InChI=1S/C21H28N2O4/c1-6-7-10-27-17-9-8-16(11-18(17)26-5)12-22-21(25)20-13(2)19(15(4)24)14(3)23-20/h8-9,11,23H,6-7,10,12H2,1-5H3,(H,22,25)