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

Systemtic Name: 7-methoxy-1-(3-propan-2-yloxyphenyl)carbonyl-6-(2-pyrrolidin-1-ylethoxy)isoquinoline-4-carboxylic acid Openeye Name: 1-(3-isopropoxybenzoyl)-7-methoxy-6-(2-pyrrolidin-1-ylethoxy)isoquinoline-4-carboxylic acid CAS Name: 7-methoxy-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-6-[2-(1-pyrrolidinyl)ethoxy]-4-isoquinolinecarboxylic acid IUPAC Name: 7-methoxy-1-(3-propan-2-yloxybenzoyl)-6-(2-pyrrolidin-1-ylethoxy)isoquinoline-4-carboxylic acid Traditional Name: 1-(3-isopropoxybenzoyl)-7-methoxy-6-(2-pyrrolidinoethoxy)isoquinoline-4-carboxylic acid Formula: C27H30N2O6 MolecularWeight: 478.5369

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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)OCCN4CCCC4)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OCCN4CCCC4)C(=O)O

InChI

InChI=1S/C27H30N2O6/c1-17(2)35-19-8-6-7-18(13-19)26(30)25-21-15-23(33-3)24(34-12-11-29-9-4-5-10-29)14-20(21)22(16-28-25)27(31)32/h6-8,13-17H,4-5,9-12H2,1-3H3,(H,31,32)