(2R,3R)-5-oxidanylidene-2-phenyl-oxolane-3-carboxylic acid; 1-phenylethanamine

Systemtic Name: (2R,3R)-5-oxidanylidene-2-phenyl-oxolane-3-carboxylic acid; 1-phenylethanamine Openeye Name: (2R,3R)-5-oxo-2-phenyl-tetrahydrofuran-3-carboxylic acid; 1-phenylethanamine CAS Name: (2R,3R)-5-oxo-2-phenyl-3-oxolanecarboxylic acid; 1-phenylethanamine IUPAC Name: (2R,3R)-5-oxo-2-phenyloxolane-3-carboxylic acid; 1-phenylethanamine Traditional Name: (2R,3R)-5-keto-2-phenyl-tetrahydrofuran-3-carboxylic acid; 1-phenylethylamine Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N.C1C(C(OC1=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)N.C1[C@H]([C@@H](OC1=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C11H10O4.C8H11N/c12-9-6-8(11(13)14)10(15-9)7-4-2-1-3-5-7;1-7(9)8-5-3-2-4-6-8/h1-5,8,10H,6H2,(H,13,14);2-7H,9H2,1H3/t8-,10+;/m1./s1