N-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine; ethanedioic acid

Systemtic Name: N-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine; ethanedioic acid Openeye Name: N-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine; oxalic acid CAS Name: N-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methyl]-1-[4-(1-imidazolyl)phenyl]ethanamine; oxalic acid IUPAC Name: N-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine; oxalic acid Traditional Name: (1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methyl-[1-(4-imidazol-1-ylphenyl)ethyl]amine; oxalic acid Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)CNC(C)C3=CC=C(C=C3)N4C=CN=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)CNC(C)C3=CC=C(C=C3)N4C=CN=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H32N4.C2H2O4/c1-18-15-22(20(3)28(18)24-7-5-4-6-8-24)16-26-19(2)21-9-11-23(12-10-21)27-14-13-25-17-27;3-1(4)2(5)6/h9-15,17,19,24,26H,4-8,16H2,1-3H3;(H,3,4)(H,5,6)