2-[3-[(E)-N'-(2-methylpropanoyloxy)carbamimidoyl]phenoxy]pentanoic acid

Systemtic Name: 2-[3-[(E)-N'-(2-methylpropanoyloxy)carbamimidoyl]phenoxy]pentanoic acid Openeye Name: 2-[3-[(E)-N'-(2-methylpropanoyloxy)carbamimidoyl]phenoxy]pentanoic acid CAS Name: 2-[3-[(E)-amino-(2-methyl-1-oxopropoxy)iminomethyl]phenoxy]pentanoic acid IUPAC Name: 2-[3-[(E)-N'-(2-methylpropanoyloxy)carbamimidoyl]phenoxy]pentanoic acid Traditional Name: 2-[3-[(E)-N'-isobutyryloxyamidino]phenoxy]valeric acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)OC1=CC=CC(=C1)C(=NOC(=O)C(C)C)N

Isomeric SMILES

CCCC(C(=O)O)OC1=CC=CC(=C1)/C(=N\OC(=O)C(C)C)/N

InChI

InChI=1S/C16H22N2O5/c1-4-6-13(15(19)20)22-12-8-5-7-11(9-12)14(17)18-23-16(21)10(2)3/h5,7-10,13H,4,6H2,1-3H3,(H2,17,18)(H,19,20)