methyl 2-azanyl-4-[2-[(2-cyanophenyl)methoxy]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-[2-[(2-cyanophenyl)methoxy]phenyl]-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carboxylate Openeye Name: methyl 2-amino-4-[2-[(2-cyanophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate CAS Name: 2-amino-4-[2-[(2-cyanophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-[2-[(2-cyanophenyl)methoxy]phenyl]-5-oxo-4,6,7,8-tetrahydrochromene-3-carboxylate Traditional Name: 2-amino-4-[2-(2-cyanobenzyl)oxyphenyl]-5-keto-4,6,7,8-tetrahydrochromene-3-carboxylic acid methyl ester Formula: C25H22N2O5 MolecularWeight: 430.45258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C1C3=CC=CC=C3OCC4=CC=CC=C4C#N)C(=O)CCC2)N

Isomeric SMILES

COC(=O)C1=C(OC2=C(C1C3=CC=CC=C3OCC4=CC=CC=C4C#N)C(=O)CCC2)N

InChI

InChI=1S/C25H22N2O5/c1-30-25(29)23-21(22-18(28)10-6-12-20(22)32-24(23)27)17-9-4-5-11-19(17)31-14-16-8-3-2-7-15(16)13-26/h2-5,7-9,11,21H,6,10,12,14,27H2,1H3