3-[bis(1H-imidazol-2-ylmethyl)amino]-2-methyl-naphthalene-1-carboxylic acid

Systemtic Name: 3-[bis(1H-imidazol-2-ylmethyl)amino]-2-methyl-naphthalene-1-carboxylic acid Openeye Name: 3-[bis(1H-imidazol-2-ylmethyl)amino]-2-methyl-naphthalene-1-carboxylic acid CAS Name: 3-[bis(1H-imidazol-2-ylmethyl)amino]-2-methyl-1-naphthalenecarboxylic acid IUPAC Name: 3-[bis(1H-imidazol-2-ylmethyl)amino]-2-methylnaphthalene-1-carboxylic acid Traditional Name: 3-[bis(1H-imidazol-2-ylmethyl)amino]-2-methyl-1-naphthoic acid Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=C1N(CC3=NC=CN3)CC4=NC=CN4)C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=C1N(CC3=NC=CN3)CC4=NC=CN4)C(=O)O

InChI

InChI=1S/C20H19N5O2/c1-13-16(10-14-4-2-3-5-15(14)19(13)20(26)27)25(11-17-21-6-7-22-17)12-18-23-8-9-24-18/h2-10H,11-12H2,1H3,(H,21,22)(H,23,24)(H,26,27)