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

Systemtic Name: 7-[4-[(3-tert-butylphenyl)carbamoyl]phenoxy]-6-cyano-3,4-dihydro-2H-chromene-4-carboxylic acid Openeye Name: 7-[4-[(3-tert-butylphenyl)carbamoyl]phenoxy]-6-cyano-chromane-4-carboxylic acid CAS Name: 7-[4-[(3-tert-butylanilino)-oxomethyl]phenoxy]-6-cyano-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid IUPAC Name: 7-[4-[(3-tert-butylphenyl)carbamoyl]phenoxy]-6-cyano-3,4-dihydro-2H-chromene-4-carboxylic acid Traditional Name: 7-[4-[(3-tert-butylphenyl)carbamoyl]phenoxy]-6-cyano-chroman-4-carboxylic acid Formula: C28H26N2O5 MolecularWeight: 470.51644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)OC3=CC4=C(C=C3C#N)C(CCO4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)OC3=CC4=C(C=C3C#N)C(CCO4)C(=O)O

InChI

InChI=1S/C28H26N2O5/c1-28(2,3)19-5-4-6-20(14-19)30-26(31)17-7-9-21(10-8-17)35-24-15-25-23(13-18(24)16-29)22(27(32)33)11-12-34-25/h4-10,13-15,22H,11-12H2,1-3H3,(H,30,31)(H,32,33)