ethyl 1-[(3,4,5-trimethoxyphenyl)amino]isoquinoline-4-carboxylate

Systemtic Name: ethyl 1-[(3,4,5-trimethoxyphenyl)amino]isoquinoline-4-carboxylate Openeye Name: ethyl 1-(3,4,5-trimethoxyanilino)isoquinoline-4-carboxylate CAS Name: 1-(3,4,5-trimethoxyanilino)-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3,4,5-trimethoxyanilino)isoquinoline-4-carboxylate Traditional Name: 1-(3,4,5-trimethoxyanilino)isoquinoline-4-carboxylic acid ethyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H22N2O5/c1-5-28-21(24)16-12-22-20(15-9-7-6-8-14(15)16)23-13-10-17(25-2)19(27-4)18(11-13)26-3/h6-12H,5H2,1-4H3,(H,22,23)