2-(butanoylamino)-3-[ethyl(phenoxy)carbamoyl]-2-methyl-butanedioic acid

Systemtic Name: 2-(butanoylamino)-3-[ethyl(phenoxy)carbamoyl]-2-methyl-butanedioic acid Openeye Name: 2-(butanoylamino)-3-[ethyl(phenoxy)carbamoyl]-2-methyl-butanedioic acid CAS Name: 3-[[ethyl(phenoxy)amino]-oxomethyl]-2-methyl-2-(1-oxobutylamino)butanedioic acid IUPAC Name: 2-(butanoylamino)-3-[ethyl(phenoxy)carbamoyl]-2-methylbutanedioic acid Traditional Name: 2-butyramido-3-[ethyl(phenoxy)carbamoyl]-2-methyl-succinic acid Formula: C18H24N2O7 MolecularWeight: 380.39236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O7/c1-4-9-13(21)19-18(3,17(25)26)14(16(23)24)15(22)20(5-2)27-12-10-7-6-8-11-12/h6-8,10-11,14H,4-5,9H2,1-3H3,(H,19,21)(H,23,24)(H,25,26)