bis(2-methylpropyl) 2-azanyl-3-phenyl-butanedioate; hydron; chloride

Systemtic Name: bis(2-methylpropyl) 2-azanyl-3-phenyl-butanedioate; hydron; chloride Openeye Name: diisobutyl 2-amino-3-phenyl-butanedioate; hydron; chloride CAS Name: 2-amino-3-phenylbutanedioic acid bis(2-methylpropyl) ester; hydron; chloride IUPAC Name: bis(2-methylpropyl) 2-amino-3-phenylbutanedioate; hydron; chloride Traditional Name: 2-amino-3-phenyl-succinic acid diisobutyl ester; hydron; chloride Formula: C18H28ClNO4 MolecularWeight: 357.87222

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Descriptors Computed from Structure

Canonical SMILES:

[H+].CC(C)COC(=O)C(C1=CC=CC=C1)C(C(=O)OCC(C)C)N.[Cl-]

Isomeric SMILES

[H+].CC(C)COC(=O)C(C1=CC=CC=C1)C(C(=O)OCC(C)C)N.[Cl-]

InChI

InChI=1S/C18H27NO4.ClH/c1-12(2)10-22-17(20)15(14-8-6-5-7-9-14)16(19)18(21)23-11-13(3)4;/h5-9,12-13,15-16H,10-11,19H2,1-4H3;1H