(Z)-2-azanyl-4-(8-ethoxy-2,2-dimethyl-chromen-6-yl)-3-[4-(3-oxidanylprop-1-ynyl)phenyl]but-2-enenitrile

Systemtic Name: (Z)-2-azanyl-4-(8-ethoxy-2,2-dimethyl-chromen-6-yl)-3-[4-(3-oxidanylprop-1-ynyl)phenyl]but-2-enenitrile Openeye Name: (Z)-2-amino-4-(8-ethoxy-2,2-dimethyl-chromen-6-yl)-3-[4-(3-hydroxyprop-1-ynyl)phenyl]but-2-enenitrile CAS Name: (Z)-2-amino-4-(8-ethoxy-2,2-dimethyl-1-benzopyran-6-yl)-3-[4-(3-hydroxyprop-1-ynyl)phenyl]-2-butenenitrile IUPAC Name: (Z)-2-amino-4-(8-ethoxy-2,2-dimethylchromen-6-yl)-3-[4-(3-hydroxyprop-1-ynyl)phenyl]but-2-enenitrile Traditional Name: (Z)-2-amino-4-(8-ethoxy-2,2-dimethyl-chromen-6-yl)-3-[4-(3-hydroxyprop-1-ynyl)phenyl]but-2-enenitrile Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC(=C1)CC(=C(C#N)N)C3=CC=C(C=C3)C#CCO)C=CC(O2)(C)C

Isomeric SMILES

CCOC1=C2C(=CC(=C1)C/C(=C(\C#N)/N)/C3=CC=C(C=C3)C#CCO)C=CC(O2)(C)C

InChI

InChI=1S/C26H26N2O3/c1-4-30-24-16-19(14-21-11-12-26(2,3)31-25(21)24)15-22(23(28)17-27)20-9-7-18(8-10-20)6-5-13-29/h7-12,14,16,29H,4,13,15,28H2,1-3H3/b23-22-