2-[3-methylbutyl-[oxidanyl(phenyl)methyl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: 2-[3-methylbutyl-[oxidanyl(phenyl)methyl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: 2-[[hydroxy(phenyl)methyl]-isopentyl-carbamoyl]oxirane-2-carboxylic acid CAS Name: 2-[[[hydroxy(phenyl)methyl]-(3-methylbutyl)amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 2-[[hydroxy(phenyl)methyl]-(3-methylbutyl)carbamoyl]oxirane-2-carboxylic acid Traditional Name: 2-[[hydroxy(phenyl)methyl]-isoamyl-carbamoyl]oxirane-2-carboxylic acid Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(C1=CC=CC=C1)O)C(=O)C2(CO2)C(=O)O

Isomeric SMILES

CC(C)CCN(C(C1=CC=CC=C1)O)C(=O)C2(CO2)C(=O)O

InChI

InChI=1S/C16H21NO5/c1-11(2)8-9-17(13(18)12-6-4-3-5-7-12)14(19)16(10-22-16)15(20)21/h3-7,11,13,18H,8-10H2,1-2H3,(H,20,21)