(2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate; [(1S)-1-phenylethyl]azanium

Systemtic Name: (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate; [(1S)-1-phenylethyl]azanium Openeye Name: (2S)-6-methoxy-2,3-dihydrobenzofuran-2-carboxylate; [(1S)-1-phenylethyl]ammonium CAS Name: (2S)-6-methoxy-2,3-dihydrobenzofuran-2-carboxylate; [(1S)-1-phenylethyl]ammonium IUPAC Name: (2S)-6-methoxy-2,3-dihydro-1-benzofuran-2-carboxylate; [(1S)-1-phenylethyl]azanium Traditional Name: (2S)-6-methoxycoumaran-2-carboxylate; [(1S)-1-phenylethyl]ammonium Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH3+].COC1=CC2=C(CC(O2)C(=O)[O-])C=C1

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH3+].COC1=CC2=C(C[C@H](O2)C(=O)[O-])C=C1

InChI

InChI=1S/C10H10O4.C8H11N/c1-13-7-3-2-6-4-9(10(11)12)14-8(6)5-7;1-7(9)8-5-3-2-4-6-8/h2-3,5,9H,4H2,1H3,(H,11,12);2-7H,9H2,1H3/t9-;7-/m00/s1