quinolin-2-ylmethyl ethanoate hydrate

Systemtic Name: quinolin-2-ylmethyl ethanoate hydrate Openeye Name: 2-quinolylmethyl acetate hydrate CAS Name: acetic acid 2-quinolinylmethyl ester hydrate IUPAC Name: quinolin-2-ylmethyl acetate hydrate Traditional Name: acetic acid 2-quinolylmethyl ester hydrate Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=NC2=CC=CC=C2C=C1.O

Isomeric SMILES

CC(=O)OCC1=NC2=CC=CC=C2C=C1.O

InChI

InChI=1S/C12H11NO2.H2O/c1-9(14)15-8-11-7-6-10-4-2-3-5-12(10)13-11;/h2-7H,8H2,1H3;1H2