6-[2-(dimethylamino)-2-oxidanylidene-ethoxy]-7-methoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinoline-4-carboxylic acid

Systemtic Name: 6-[2-(dimethylamino)-2-oxidanylidene-ethoxy]-7-methoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinoline-4-carboxylic acid Openeye Name: 6-[2-(dimethylamino)-2-oxo-ethoxy]-1-(3-isopropoxybenzoyl)-7-methoxy-isoquinoline-4-carboxylic acid CAS Name: 6-[2-(dimethylamino)-2-oxoethoxy]-7-methoxy-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-4-isoquinolinecarboxylic acid IUPAC Name: 6-[2-(dimethylamino)-2-oxoethoxy]-7-methoxy-1-(3-propan-2-yloxybenzoyl)isoquinoline-4-carboxylic acid Traditional Name: 6-[2-(dimethylamino)-2-keto-ethoxy]-1-(3-isopropoxybenzoyl)-7-methoxy-isoquinoline-4-carboxylic acid Formula: C25H26N2O7 MolecularWeight: 466.48314

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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)OCC(=O)N(C)C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O7/c1-14(2)34-16-8-6-7-15(9-16)24(29)23-18-11-20(32-5)21(33-13-22(28)27(3)4)10-17(18)19(12-26-23)25(30)31/h6-12,14H,13H2,1-5H3,(H,30,31)