methyl 1-chloranyl-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 1-chloranyl-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 7-benzyloxy-1-chloro-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 1-chloro-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-chloro-7-phenylmethoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 7-benzoxy-1-chloro-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C27H24ClNO6 MolecularWeight: 493.93556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N=C(C3=C2C=CC(=C3)OCC4=CC=CC=C4)Cl)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N=C(C3=C2C=CC(=C3)OCC4=CC=CC=C4)Cl)C(=O)OC

InChI

InChI=1S/C27H24ClNO6/c1-31-21-12-17(13-22(32-2)25(21)33-3)23-19-11-10-18(35-15-16-8-6-5-7-9-16)14-20(19)26(28)29-24(23)27(30)34-4/h5-14H,15H2,1-4H3