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

Systemtic Name: 6-chloranyl-7-[4-(3,3-dimethylbutylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Openeye Name: 6-chloro-7-[4-(3,3-dimethylbutylcarbamoyl)phenoxy]chromane-4-carboxylic acid CAS Name: 6-chloro-7-[4-[(3,3-dimethylbutylamino)-oxomethyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 6-chloro-7-[4-(3,3-dimethylbutylcarbamoyl)phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Traditional Name: 6-chloro-7-[4-(3,3-dimethylbutylcarbamoyl)phenoxy]chroman-4-carboxylic acid Formula: C23H26ClNO5 MolecularWeight: 431.90924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC2=C(C=C3C(CCOC3=C2)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)CCNC(=O)C1=CC=C(C=C1)OC2=C(C=C3C(CCOC3=C2)C(=O)O)Cl

InChI

InChI=1S/C23H26ClNO5/c1-23(2,3)9-10-25-21(26)14-4-6-15(7-5-14)30-20-13-19-17(12-18(20)24)16(22(27)28)8-11-29-19/h4-7,12-13,16H,8-11H2,1-3H3,(H,25,26)(H,27,28)