methyl 1-[(3-chloranyl-4-methoxy-phenyl)amino]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-[(3-chloranyl-4-methoxy-phenyl)amino]isoquinoline-4-carboxylate Openeye Name: methyl 1-(3-chloro-4-methoxy-anilino)isoquinoline-4-carboxylate CAS Name: 1-(3-chloro-4-methoxyanilino)-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-chloro-4-methoxyanilino)isoquinoline-4-carboxylate Traditional Name: 1-(3-chloro-4-methoxy-anilino)isoquinoline-4-carboxylic acid methyl ester Formula: C18H15ClN2O3 MolecularWeight: 342.7763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)OC)Cl

InChI

InChI=1S/C18H15ClN2O3/c1-23-16-8-7-11(9-15(16)19)21-17-13-6-4-3-5-12(13)14(10-20-17)18(22)24-2/h3-10H,1-2H3,(H,20,21)