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

Systemtic Name: [(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-pyridin-3-ylcarbonyl-amino] benzoate Openeye Name: [(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-(pyridine-3-carbonyl)amino] benzoate CAS Name: benzoic acid [(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-[oxo(3-pyridinyl)methyl]amino] ester IUPAC Name: [(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-(pyridine-3-carbonyl)amino] benzoate Traditional Name: benzoic acid [(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-nicotinoyl-amino] ester Formula: C25H21N3O5 MolecularWeight: 443.45134

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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=CN=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=CN=CC=C3)OC(=O)C4=CC=CC=C4)O)C

InChI

InChI=1S/C25H21N3O5/c1-25(2)22(29)21(19-13-16(14-26)10-11-20(19)32-25)28(23(30)18-9-6-12-27-15-18)33-24(31)17-7-4-3-5-8-17/h3-13,15,21-22,29H,1-2H3