[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-(phenylcarbonyl)amino] benzoate

Systemtic Name: [(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-(phenylcarbonyl)amino] benzoate Openeye Name: [benzoyl-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)amino] benzoate CAS Name: benzoic acid [benzoyl-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)amino] ester IUPAC Name: [benzoyl-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)amino] benzoate Traditional Name: benzoic acid [benzoyl-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)amino] ester Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(C(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(C(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O)C

InChI

InChI=1S/C26H22N2O5/c1-26(2)23(29)22(20-15-17(16-27)13-14-21(20)32-26)28(24(30)18-9-5-3-6-10-18)33-25(31)19-11-7-4-8-12-19/h3-15,22-23,29H,1-2H3