tert-butyl 2-[3-[(6-carbamimidoylpyridin-3-yl)carbonylcarbamoylamino]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[3-[(6-carbamimidoylpyridin-3-yl)carbonylcarbamoylamino]phenoxy]ethanoate Openeye Name: tert-butyl 2-[3-[(6-carbamimidoylpyridine-3-carbonyl)carbamoylamino]phenoxy]acetate CAS Name: 2-[3-[[[[(6-carbamimidoyl-3-pyridinyl)-oxomethyl]amino]-oxomethyl]amino]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-[(6-carbamimidoylpyridine-3-carbonyl)carbamoylamino]phenoxy]acetate Traditional Name: 2-[3-[(6-amidinonicotinoyl)carbamoylamino]phenoxy]acetic acid tert-butyl ester Formula: C20H23N5O5 MolecularWeight: 413.42712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=CC(=C1)NC(=O)NC(=O)C2=CN=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=CC(=C1)NC(=O)NC(=O)C2=CN=C(C=C2)C(=N)N

InChI

InChI=1S/C20H23N5O5/c1-20(2,3)30-16(26)11-29-14-6-4-5-13(9-14)24-19(28)25-18(27)12-7-8-15(17(21)22)23-10-12/h4-10H,11H2,1-3H3,(H3,21,22)(H2,24,25,27,28)