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

Systemtic Name: ethyl N-[2-azanyl-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate; 2-phenylethanoic acid Openeye Name: ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridyl]carbamate; 2-phenylacetic acid CAS Name: N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamic acid ethyl ester; 2-phenylacetic acid IUPAC Name: ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]pyridin-3-yl]carbamate; 2-phenylacetic acid Traditional Name: N-[2-amino-6-[(4-fluorobenzyl)amino]-3-pyridyl]carbamic acid ethyl ester; 2-phenylacetic acid Formula: C23H25FN4O4 MolecularWeight: 440.467403

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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=C1)CC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H17FN4O2.C8H8O2/c1-2-22-15(21)19-12-7-8-13(20-14(12)17)18-9-10-3-5-11(16)6-4-10;9-8(10)6-7-4-2-1-3-5-7/h3-8H,2,9H2,1H3,(H,19,21)(H3,17,18,20);1-5H,6H2,(H,9,10)