6-chloranyl-7-[4-(4-phenylbutylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid

Systemtic Name: 6-chloranyl-7-[4-(4-phenylbutylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Openeye Name: 6-chloro-7-[4-(4-phenylbutylcarbamoyl)phenoxy]chromane-4-carboxylic acid CAS Name: 6-chloro-7-[4-[oxo-(4-phenylbutylamino)methyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 6-chloro-7-[4-(4-phenylbutylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Traditional Name: 6-chloro-7-[4-(4-phenylbutylcarbamoyl)phenoxy]chroman-4-carboxylic acid Formula: C27H26ClNO5 MolecularWeight: 479.95204

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC(=C(C=C2C1C(=O)O)Cl)OC3=CC=C(C=C3)C(=O)NCCCCC4=CC=CC=C4

Isomeric SMILES

C1COC2=CC(=C(C=C2C1C(=O)O)Cl)OC3=CC=C(C=C3)C(=O)NCCCCC4=CC=CC=C4

InChI

InChI=1S/C27H26ClNO5/c28-23-16-22-21(27(31)32)13-15-33-24(22)17-25(23)34-20-11-9-19(10-12-20)26(30)29-14-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-12,16-17,21H,4-5,8,13-15H2,(H,29,30)(H,31,32)