5-butyl-1-[3-(dimethylamino)propyl]-4-(3-hydroxyphenyl)-2-methyl-pyrrole-3-carboxamide

Systemtic Name: 5-butyl-1-[3-(dimethylamino)propyl]-4-(3-hydroxyphenyl)-2-methyl-pyrrole-3-carboxamide Openeye Name: 5-butyl-1-[3-(dimethylamino)propyl]-4-(3-hydroxyphenyl)-2-methyl-pyrrole-3-carboxamide CAS Name: 5-butyl-1-[3-(dimethylamino)propyl]-4-(3-hydroxyphenyl)-2-methyl-3-pyrrolecarboxamide IUPAC Name: 5-butyl-1-[3-(dimethylamino)propyl]-4-(3-hydroxyphenyl)-2-methylpyrrole-3-carboxamide Traditional Name: 5-butyl-1-[3-(dimethylamino)propyl]-4-(3-hydroxyphenyl)-2-methyl-pyrrole-3-carboxamide Formula: C21H31N3O2 MolecularWeight: 357.48974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CCCN(C)C)C)C(=O)N)C2=CC(=CC=C2)O

Isomeric SMILES

CCCCC1=C(C(=C(N1CCCN(C)C)C)C(=O)N)C2=CC(=CC=C2)O

InChI

InChI=1S/C21H31N3O2/c1-5-6-11-18-20(16-9-7-10-17(25)14-16)19(21(22)26)15(2)24(18)13-8-12-23(3)4/h7,9-10,14,25H,5-6,8,11-13H2,1-4H3,(H2,22,26)