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

Systemtic Name: 7-[4-[(4-tert-butylcyclohexyl)carbamoyl]phenoxy]-6-chloranyl-3,4-dihydro-2H-chromene-4-carboxylic acid Openeye Name: 7-[4-[(4-tert-butylcyclohexyl)carbamoyl]phenoxy]-6-chloro-chromane-4-carboxylic acid CAS Name: 7-[4-[[(4-tert-butylcyclohexyl)amino]-oxomethyl]phenoxy]-6-chloro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 7-[4-[(4-tert-butylcyclohexyl)carbamoyl]phenoxy]-6-chloro-3,4-dihydro-2H-chromene-4-carboxylic acid Traditional Name: 7-[4-[(4-tert-butylcyclohexyl)carbamoyl]phenoxy]-6-chloro-chroman-4-carboxylic acid Formula: C27H32ClNO5 MolecularWeight: 485.99968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)NC(=O)C2=CC=C(C=C2)OC3=C(C=C4C(CCOC4=C3)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)NC(=O)C2=CC=C(C=C2)OC3=C(C=C4C(CCOC4=C3)C(=O)O)Cl

InChI

InChI=1S/C27H32ClNO5/c1-27(2,3)17-6-8-18(9-7-17)29-25(30)16-4-10-19(11-5-16)34-24-15-23-21(14-22(24)28)20(26(31)32)12-13-33-23/h4-5,10-11,14-15,17-18,20H,6-9,12-13H2,1-3H3,(H,29,30)(H,31,32)