4-[4-[[1-acetamido-2-(2-methylpropylamino)-2-oxidanylidene-ethyl]amino]phenoxy]butanoic acid

Systemtic Name: 4-[4-[[1-acetamido-2-(2-methylpropylamino)-2-oxidanylidene-ethyl]amino]phenoxy]butanoic acid Openeye Name: 4-[4-[[1-acetamido-2-(isobutylamino)-2-oxo-ethyl]amino]phenoxy]butanoic acid CAS Name: 4-[4-[[1-acetamido-2-(2-methylpropylamino)-2-oxoethyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[4-[[1-acetamido-2-(2-methylpropylamino)-2-oxoethyl]amino]phenoxy]butanoic acid Traditional Name: 4-[4-[[1-acetamido-2-(isobutylamino)-2-keto-ethyl]amino]phenoxy]butyric acid Formula: C18H27N3O5 MolecularWeight: 365.42408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(NC1=CC=C(C=C1)OCCCC(=O)O)NC(=O)C

Isomeric SMILES

CC(C)CNC(=O)C(NC1=CC=C(C=C1)OCCCC(=O)O)NC(=O)C

InChI

InChI=1S/C18H27N3O5/c1-12(2)11-19-18(25)17(20-13(3)22)21-14-6-8-15(9-7-14)26-10-4-5-16(23)24/h6-9,12,17,21H,4-5,10-11H2,1-3H3,(H,19,25)(H,20,22)(H,23,24)