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

Systemtic Name: 7-[4-[(4-tert-butylcyclohexyl)carbamoyl]phenoxy]-6-cyano-3,4-dihydro-2H-chromene-4-carboxylic acid Openeye Name: 7-[4-[(4-tert-butylcyclohexyl)carbamoyl]phenoxy]-6-cyano-chromane-4-carboxylic acid CAS Name: 7-[4-[[(4-tert-butylcyclohexyl)amino]-oxomethyl]phenoxy]-6-cyano-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 7-[4-[(4-tert-butylcyclohexyl)carbamoyl]phenoxy]-6-cyano-3,4-dihydro-2H-chromene-4-carboxylic acid Traditional Name: 7-[4-[(4-tert-butylcyclohexyl)carbamoyl]phenoxy]-6-cyano-chroman-4-carboxylic acid Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)NC(=O)C2=CC=C(C=C2)OC3=CC4=C(C=C3C#N)C(CCO4)C(=O)O

Isomeric SMILES

CC(C)(C)C1CCC(CC1)NC(=O)C2=CC=C(C=C2)OC3=CC4=C(C=C3C#N)C(CCO4)C(=O)O

InChI

InChI=1S/C28H32N2O5/c1-28(2,3)19-6-8-20(9-7-19)30-26(31)17-4-10-21(11-5-17)35-24-15-25-23(14-18(24)16-29)22(27(32)33)12-13-34-25/h4-5,10-11,14-15,19-20,22H,6-9,12-13H2,1-3H3,(H,30,31)(H,32,33)