methyl 2-azanyl-4-[4-[(2-cyanophenyl)methoxy]phenyl]-7-oxidanyl-4H-chromene-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-[4-[(2-cyanophenyl)methoxy]phenyl]-7-oxidanyl-4H-chromene-3-carboxylate Openeye Name: methyl 2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-7-hydroxy-4H-chromene-3-carboxylate CAS Name: 2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-7-hydroxy-4H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-[4-[(2-cyanophenyl)methoxy]phenyl]-7-hydroxy-4H-chromene-3-carboxylate Traditional Name: 2-amino-4-[4-(2-cyanobenzyl)oxyphenyl]-7-hydroxy-4H-chromene-3-carboxylic acid methyl ester Formula: C25H20N2O5 MolecularWeight: 428.4367

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)OCC4=CC=CC=C4C#N)C=CC(=C2)O)N

Isomeric SMILES

COC(=O)C1=C(OC2=C(C1C3=CC=C(C=C3)OCC4=CC=CC=C4C#N)C=CC(=C2)O)N

InChI

InChI=1S/C25H20N2O5/c1-30-25(29)23-22(20-11-8-18(28)12-21(20)32-24(23)27)15-6-9-19(10-7-15)31-14-17-5-3-2-4-16(17)13-26/h2-12,22,28H,14,27H2,1H3