3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-isochromen-1-one

Systemtic Name: 3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-isochromen-1-one Openeye Name: 3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5-methyl-isochromen-1-one CAS Name: 3-[2-[2-(hydroxymethyl)-1-pyrrolidinyl]ethyl]-5-methyl-2-benzopyran-1-one IUPAC Name: 3-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-5-methylisochromen-1-one Traditional Name: 5-methyl-3-[2-(2-methylolpyrrolidino)ethyl]isocoumarin Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=C(OC2=O)CCN3CCCC3CO

Isomeric SMILES

CC1=CC=CC2=C1C=C(OC2=O)CCN3CCCC3CO

InChI

InChI=1S/C17H21NO3/c1-12-4-2-6-15-16(12)10-14(21-17(15)20)7-9-18-8-3-5-13(18)11-19/h2,4,6,10,13,19H,3,5,7-9,11H2,1H3