(4R)-2-azanyl-4-(3-ethoxy-4-phenylmethoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile

Systemtic Name: (4R)-2-azanyl-4-(3-ethoxy-4-phenylmethoxy-phenyl)-5-oxidanylidene-4,6,7,8-tetrahydrochromene-3-carbonitrile Openeye Name: (4R)-2-amino-4-(4-benzyloxy-3-ethoxy-phenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile CAS Name: (4R)-2-amino-4-(3-ethoxy-4-phenylmethoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile IUPAC Name: (4R)-2-amino-4-(3-ethoxy-4-phenylmethoxyphenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile Traditional Name: (4R)-2-amino-4-(4-benzoxy-3-ethoxy-phenyl)-5-keto-4,6,7,8-tetrahydrochromene-3-carbonitrile Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(OC3=C2C(=O)CCC3)N)C#N)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2C(=C(OC3=C2C(=O)CCC3)N)C#N)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O4/c1-2-29-22-13-17(11-12-20(22)30-15-16-7-4-3-5-8-16)23-18(14-26)25(27)31-21-10-6-9-19(28)24(21)23/h3-5,7-8,11-13,23H,2,6,9-10,15,27H2,1H3/t23-/m1/s1