methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)isoquinoline-4-carboxylate

Systemtic Name: methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)isoquinoline-4-carboxylate Openeye Name: methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)isoquinoline-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)isoquinoline-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)isoquinoline-4-carboxylic acid methyl ester Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H16N2O4/c1-23-19(22)15-11-20-18(14-5-3-2-4-13(14)15)21-12-6-7-16-17(10-12)25-9-8-24-16/h2-7,10-11H,8-9H2,1H3,(H,20,21)