methyl 1-[2-(3,4-dimethoxyphenyl)ethylamino]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-[2-(3,4-dimethoxyphenyl)ethylamino]isoquinoline-4-carboxylate Openeye Name: methyl 1-[2-(3,4-dimethoxyphenyl)ethylamino]isoquinoline-4-carboxylate CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethylamino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3,4-dimethoxyphenyl)ethylamino]isoquinoline-4-carboxylate Traditional Name: 1-(homoveratrylamino)isoquinoline-4-carboxylic acid methyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC=C(C3=CC=CC=C32)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC=C(C3=CC=CC=C32)C(=O)OC)OC

InChI

InChI=1S/C21H22N2O4/c1-25-18-9-8-14(12-19(18)26-2)10-11-22-20-16-7-5-4-6-15(16)17(13-23-20)21(24)27-3/h4-9,12-13H,10-11H2,1-3H3,(H,22,23)