3-ethoxy-6,7-diheptoxy-2-(methoxymethyl)-1-prop-2-enoxy-phenanthrene-9-carbonitrile

Systemtic Name: 3-ethoxy-6,7-diheptoxy-2-(methoxymethyl)-1-prop-2-enoxy-phenanthrene-9-carbonitrile Openeye Name: 1-allyloxy-3-ethoxy-6,7-diheptoxy-2-(methoxymethyl)phenanthrene-9-carbonitrile CAS Name: 3-ethoxy-6,7-diheptoxy-2-(methoxymethyl)-1-prop-2-enoxy-9-phenanthrenecarbonitrile IUPAC Name: 3-ethoxy-6,7-diheptoxy-2-(methoxymethyl)-1-prop-2-enoxyphenanthrene-9-carbonitrile Traditional Name: 1-allyloxy-3-ethoxy-6,7-diheptoxy-2-(methoxymethyl)phenanthrene-9-carbonitrile Formula: C36H49NO5 MolecularWeight: 575.77796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C2C(=C1)C(=CC3=C(C(=C(C=C23)OCC)COC)OCC=C)C#N)OCCCCCCC

Isomeric SMILES

CCCCCCCOC1=C(C=C2C(=C1)C(=CC3=C(C(=C(C=C23)OCC)COC)OCC=C)C#N)OCCCCCCC

InChI

InChI=1S/C36H49NO5/c1-6-10-12-14-16-19-40-34-22-28-27(25-37)21-31-30(29(28)24-35(34)41-20-17-15-13-11-7-2)23-33(39-9-4)32(26-38-5)36(31)42-18-8-3/h8,21-24H,3,6-7,9-20,26H2,1-2,4-5H3