methyl 1-chloranyl-6,7-dimethoxy-4-pyridin-4-yl-isoquinoline-3-carboxylate

Systemtic Name: methyl 1-chloranyl-6,7-dimethoxy-4-pyridin-4-yl-isoquinoline-3-carboxylate Openeye Name: methyl 1-chloro-6,7-dimethoxy-4-(4-pyridyl)isoquinoline-3-carboxylate CAS Name: 1-chloro-6,7-dimethoxy-4-pyridin-4-yl-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-chloro-6,7-dimethoxy-4-pyridin-4-ylisoquinoline-3-carboxylate Traditional Name: 1-chloro-6,7-dimethoxy-4-(4-pyridyl)isoquinoline-3-carboxylic acid methyl ester Formula: C18H15ClN2O4 MolecularWeight: 358.7757

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N=C2Cl)C(=O)OC)C3=CC=NC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N=C2Cl)C(=O)OC)C3=CC=NC=C3)OC

InChI

InChI=1S/C18H15ClN2O4/c1-23-13-8-11-12(9-14(13)24-2)17(19)21-16(18(22)25-3)15(11)10-4-6-20-7-5-10/h4-9H,1-3H3