4-azanyl-2-oxidanyl-benzoic acid; ethyl N-[2-azanyl-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate

Systemtic Name: 4-azanyl-2-oxidanyl-benzoic acid; ethyl N-[2-azanyl-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate Openeye Name: 4-amino-2-hydroxy-benzoic acid; ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridyl]carbamate CAS Name: N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamic acid ethyl ester; 4-amino-2-hydroxybenzoic acid IUPAC Name: 4-amino-2-hydroxybenzoic acid; ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate Traditional Name: N-[2-amino-6-[(4-fluorobenzyl)amino]-3-pyridyl]carbamic acid ethyl ester; 4-amino-2-hydroxy-benzoic acid Formula: C22H24FN5O5 MolecularWeight: 457.454863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N.C1=CC(=C(C=C1N)O)C(=O)O

Isomeric SMILES

CCOC(=O)NC1=C(N=C(C=C1)NCC2=CC=C(C=C2)F)N.C1=CC(=C(C=C1N)O)C(=O)O

InChI

InChI=1S/C15H17FN4O2.C7H7NO3/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10;8-4-1-2-5(7(10)11)6(9)3-4/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20);1-3,9H,8H2,(H,10,11)