N-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyl]-3-imidazol-1-yl-propan-1-amine; ethanedioic acid

Systemtic Name: N-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyl]-3-imidazol-1-yl-propan-1-amine; ethanedioic acid Openeye Name: N-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyl]-3-imidazol-1-yl-propan-1-amine; oxalic acid CAS Name: N-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]methyl]-3-(1-imidazolyl)-1-propanamine; oxalic acid IUPAC Name: N-[[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]methyl]-3-imidazol-1-ylpropan-1-amine; oxalic acid Traditional Name: [1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]methyl-(3-imidazol-1-ylpropyl)amine; oxalic acid Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)CNCCCN4C=CN=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)CNCCCN4C=CN=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N4O2.C2H2O4/c1-15-10-17(12-21-6-3-8-23-9-7-22-13-23)16(2)24(15)18-4-5-19-20(11-18)26-14-25-19;3-1(4)2(5)6/h4-5,7,9-11,13,21H,3,6,8,12,14H2,1-2H3;(H,3,4)(H,5,6)