3-ethoxy-6,7-diheptoxy-2-(methoxymethyl)-1-pent-4-enoxy-phenanthrene-9-carbonitrile

Systemtic Name: 3-ethoxy-6,7-diheptoxy-2-(methoxymethyl)-1-pent-4-enoxy-phenanthrene-9-carbonitrile Openeye Name: 3-ethoxy-6,7-diheptoxy-2-(methoxymethyl)-1-pent-4-enoxy-phenanthrene-9-carbonitrile CAS Name: 3-ethoxy-6,7-diheptoxy-2-(methoxymethyl)-1-pent-4-enoxy-9-phenanthrenecarbonitrile IUPAC Name: 3-ethoxy-6,7-diheptoxy-2-(methoxymethyl)-1-pent-4-enoxyphenanthrene-9-carbonitrile Traditional Name: 3-ethoxy-6,7-diheptoxy-2-(methoxymethyl)-1-pent-4-enoxy-phenanthrene-9-carbonitrile Formula: C38H53NO5 MolecularWeight: 603.83112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H53NO5/c1-6-10-13-15-18-20-42-36-24-30-29(27-39)23-33-32(31(30)26-37(36)43-21-19-16-14-11-7-2)25-35(41-9-4)34(28-40-5)38(33)44-22-17-12-8-3/h8,23-26H,3,6-7,9-22,28H2,1-2,4-5H3