2-[[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]oxy]-2-ethyl-butanoic acid

Systemtic Name: 2-[[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]oxy]-2-ethyl-butanoic acid Openeye Name: 2-[4-(aminomethyl)chroman-8-yl]oxy-2-ethyl-butanoic acid CAS Name: 2-[[4-(aminomethyl)-3,4-dihydro-2H-1-benzopyran-8-yl]oxy]-2-ethylbutanoic acid IUPAC Name: 2-[[4-(aminomethyl)-3,4-dihydro-2H-chromen-8-yl]oxy]-2-ethylbutanoic acid Traditional Name: 2-[4-(aminomethyl)chroman-8-yl]oxy-2-ethyl-butyric acid Formula: C16H23NO4 MolecularWeight: 293.35812

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)O)OC1=CC=CC2=C1OCCC2CN

Isomeric SMILES

CCC(CC)(C(=O)O)OC1=CC=CC2=C1OCCC2CN

InChI

InChI=1S/C16H23NO4/c1-3-16(4-2,15(18)19)21-13-7-5-6-12-11(10-17)8-9-20-14(12)13/h5-7,11H,3-4,8-10,17H2,1-2H3,(H,18,19)