6-cyano-7-[4-(isoquinolin-3-ylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid

Systemtic Name: 6-cyano-7-[4-(isoquinolin-3-ylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Openeye Name: 6-cyano-7-[4-(3-isoquinolylcarbamoyl)phenoxy]chromane-4-carboxylic acid CAS Name: 6-cyano-7-[4-[(3-isoquinolinylamino)-oxomethyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 6-cyano-7-[4-(isoquinolin-3-ylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Traditional Name: 6-cyano-7-[4-(3-isoquinolylcarbamoyl)phenoxy]chroman-4-carboxylic acid Formula: C27H19N3O5 MolecularWeight: 465.45686

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C1C(=O)O)C=C(C(=C2)OC3=CC=C(C=C3)C(=O)NC4=CC5=CC=CC=C5C=N4)C#N

Isomeric SMILES

C1COC2=C(C1C(=O)O)C=C(C(=C2)OC3=CC=C(C=C3)C(=O)NC4=CC5=CC=CC=C5C=N4)C#N

InChI

InChI=1S/C27H19N3O5/c28-14-19-11-22-21(27(32)33)9-10-34-24(22)13-23(19)35-20-7-5-16(6-8-20)26(31)30-25-12-17-3-1-2-4-18(17)15-29-25/h1-8,11-13,15,21H,9-10H2,(H,32,33)(H,29,30,31)