4-[[3-[chloranyl(cyclopropyl)methoxy]phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid

Systemtic Name: 4-[[3-[chloranyl(cyclopropyl)methoxy]phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid Openeye Name: 4-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl-ethyl-amino]pyridazine-3-carboxylic acid CAS Name: 4-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl-ethylamino]-3-pyridazinecarboxylic acid IUPAC Name: 4-[[3-[chloro(cyclopropyl)methoxy]phenyl]methyl-ethylamino]pyridazine-3-carboxylic acid Traditional Name: 4-[[3-[chloro(cyclopropyl)methoxy]benzyl]-ethyl-amino]pyridazine-3-carboxylic acid Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)OC(C2CC2)Cl)C3=C(N=NC=C3)C(=O)O

Isomeric SMILES

CCN(CC1=CC(=CC=C1)OC(C2CC2)Cl)C3=C(N=NC=C3)C(=O)O

InChI

InChI=1S/C18H20ClN3O3/c1-2-22(15-8-9-20-21-16(15)18(23)24)11-12-4-3-5-14(10-12)25-17(19)13-6-7-13/h3-5,8-10,13,17H,2,6-7,11H2,1H3,(H,23,24)