6-cyano-7-[4-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid

Systemtic Name: 6-cyano-7-[4-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Openeye Name: 6-cyano-7-[4-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)phenoxy]chromane-4-carboxylic acid CAS Name: 6-cyano-7-[4-[oxo-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)methyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 6-cyano-7-[4-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Traditional Name: 6-cyano-7-[4-(1,2,3,4-tetrahydroisoquinolin-7-ylcarbamoyl)phenoxy]chroman-4-carboxylic acid Formula: C27H23N3O5 MolecularWeight: 469.48862

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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=C(CCNC5)C=C4)C#N

Isomeric SMILES

C1COC2=C(C1C(=O)O)C=C(C(=C2)OC3=CC=C(C=C3)C(=O)NC4=CC5=C(CCNC5)C=C4)C#N

InChI

InChI=1S/C27H23N3O5/c28-14-18-12-23-22(27(32)33)8-10-34-25(23)13-24(18)35-21-5-2-17(3-6-21)26(31)30-20-4-1-16-7-9-29-15-19(16)11-20/h1-6,11-13,22,29H,7-10,15H2,(H,30,31)(H,32,33)