4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-furan-2-carboxylate

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-furan-2-carboxylate Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-furan-2-carboxylate CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-2-furancarboxylate IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methylfuran-2-carboxylate Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methyl-2-furoate Formula: C16H16NO3- MolecularWeight: 270.30314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)[O-])CN2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=C(C=C(O1)C(=O)[O-])CN2CCC3=CC=CC=C3C2

InChI

InChI=1S/C16H17NO3/c1-11-14(8-15(20-11)16(18)19)10-17-7-6-12-4-2-3-5-13(12)9-17/h2-5,8H,6-7,9-10H2,1H3,(H,18,19)/p-1