methyl 1-(1,3-benzodioxol-5-ylamino)isoquinoline-4-carboxylate

Systemtic Name: methyl 1-(1,3-benzodioxol-5-ylamino)isoquinoline-4-carboxylate Openeye Name: methyl 1-(1,3-benzodioxol-5-ylamino)isoquinoline-4-carboxylate CAS Name: 1-(1,3-benzodioxol-5-ylamino)-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzodioxol-5-ylamino)isoquinoline-4-carboxylate Traditional Name: 1-(1,3-benzodioxol-5-ylamino)isoquinoline-4-carboxylic acid methyl ester Formula: C18H14N2O4 MolecularWeight: 322.31476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H14N2O4/c1-22-18(21)14-9-19-17(13-5-3-2-4-12(13)14)20-11-6-7-15-16(8-11)24-10-23-15/h2-9H,10H2,1H3,(H,19,20)