4-[2,6-bis(azanyl)hexanoyl-(1-ethoxy-1-oxidanylidene-propan-2-yl)carbamoyl]benzoic acid

Systemtic Name: 4-[2,6-bis(azanyl)hexanoyl-(1-ethoxy-1-oxidanylidene-propan-2-yl)carbamoyl]benzoic acid Openeye Name: 4-[2,6-diaminohexanoyl-(2-ethoxy-1-methyl-2-oxo-ethyl)carbamoyl]benzoic acid CAS Name: 4-[[(2,6-diamino-1-oxohexyl)-(1-ethoxy-1-oxopropan-2-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 4-[2,6-diaminohexanoyl-(1-ethoxy-1-oxopropan-2-yl)carbamoyl]benzoic acid Traditional Name: 4-[2,6-diaminohexanoyl-(2-ethoxy-2-keto-1-methyl-ethyl)carbamoyl]benzoic acid Formula: C19H27N3O6 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N(C(=O)C1=CC=C(C=C1)C(=O)O)C(=O)C(CCCCN)N

Isomeric SMILES

CCOC(=O)C(C)N(C(=O)C1=CC=C(C=C1)C(=O)O)C(=O)C(CCCCN)N

InChI

InChI=1S/C19H27N3O6/c1-3-28-19(27)12(2)22(17(24)15(21)6-4-5-11-20)16(23)13-7-9-14(10-8-13)18(25)26/h7-10,12,15H,3-6,11,20-21H2,1-2H3,(H,25,26)