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

Systemtic Name: 6-chloranyl-7-[4-[2-(3-methylphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Openeye Name: 6-chloro-7-[4-[2-(m-tolyl)ethylcarbamoyl]phenoxy]chromane-4-carboxylic acid CAS Name: 6-chloro-7-[4-[[2-(3-methylphenyl)ethylamino]-oxomethyl]phenoxy]-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 6-chloro-7-[4-[2-(3-methylphenyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid Traditional Name: 6-chloro-7-[4-[2-(m-tolyl)ethylcarbamoyl]phenoxy]chroman-4-carboxylic acid Formula: C26H24ClNO5 MolecularWeight: 465.92546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCNC(=O)C2=CC=C(C=C2)OC3=C(C=C4C(CCOC4=C3)C(=O)O)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CCNC(=O)C2=CC=C(C=C2)OC3=C(C=C4C(CCOC4=C3)C(=O)O)Cl

InChI

InChI=1S/C26H24ClNO5/c1-16-3-2-4-17(13-16)9-11-28-25(29)18-5-7-19(8-6-18)33-24-15-23-21(14-22(24)27)20(26(30)31)10-12-32-23/h2-8,13-15,20H,9-12H2,1H3,(H,28,29)(H,30,31)