6-(2-bromoethyloxy)-7-methoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinoline-4-carboxylic acid

Systemtic Name: 6-(2-bromoethyloxy)-7-methoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 6-(2-bromoethoxy)-1-(3-isopropoxybenzoyl)-7-methoxy-isoquinoline-4-carboxylic acid CAS Name: 6-(2-bromoethoxy)-7-methoxy-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6-(2-bromoethoxy)-7-methoxy-1-(3-propan-2-yloxybenzoyl)isoquinoline-4-carboxylic acid Traditional Name: 6-(2-bromoethoxy)-1-(3-isopropoxybenzoyl)-7-methoxy-isoquinoline-4-carboxylic acid Formula: C23H22BrNO6 MolecularWeight: 488.32788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCCBr)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCCBr)C(=O)O

InChI

InChI=1S/C23H22BrNO6/c1-13(2)31-15-6-4-5-14(9-15)22(26)21-17-11-19(29-3)20(30-8-7-24)10-16(17)18(12-25-21)23(27)28/h4-6,9-13H,7-8H2,1-3H3,(H,27,28)