3-[bis[1-(1H-imidazol-2-yl)ethyl]amino]-2-methyl-benzoic acid

Systemtic Name: 3-[bis[1-(1H-imidazol-2-yl)ethyl]amino]-2-methyl-benzoic acid Openeye Name: 3-[bis[1-(1H-imidazol-2-yl)ethyl]amino]-2-methyl-benzoic acid CAS Name: 3-[bis[1-(1H-imidazol-2-yl)ethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[bis[1-(1H-imidazol-2-yl)ethyl]amino]-2-methylbenzoic acid Traditional Name: 3-[bis[1-(1H-imidazol-2-yl)ethyl]amino]-2-methyl-benzoic acid Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N(C(C)C2=NC=CN2)C(C)C3=NC=CN3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1N(C(C)C2=NC=CN2)C(C)C3=NC=CN3)C(=O)O

InChI

InChI=1S/C18H21N5O2/c1-11-14(18(24)25)5-4-6-15(11)23(12(2)16-19-7-8-20-16)13(3)17-21-9-10-22-17/h4-10,12-13H,1-3H3,(H,19,20)(H,21,22)(H,24,25)