(2E,4E)-5-[7-(1-adamantyl)-6-propoxy-naphthalen-2-yl]-3-methyl-penta-2,4-dienoic acid

Systemtic Name: (2E,4E)-5-[7-(1-adamantyl)-6-propoxy-naphthalen-2-yl]-3-methyl-penta-2,4-dienoic acid Openeye Name: (2E,4E)-5-[7-(1-adamantyl)-6-propoxy-2-naphthyl]-3-methyl-penta-2,4-dienoic acid CAS Name: (2E,4E)-5-[7-(1-adamantyl)-6-propoxy-2-naphthalenyl]-3-methylpenta-2,4-dienoic acid IUPAC Name: (2E,4E)-5-[7-(1-adamantyl)-6-propoxynaphthalen-2-yl]-3-methylpenta-2,4-dienoic acid Traditional Name: (2E,4E)-5-[7-(1-adamantyl)-6-propoxy-2-naphthyl]-3-methyl-penta-2,4-dienoic acid Formula: C29H34O3 MolecularWeight: 430.57846

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C2C=C(C=CC2=C1)C=CC(=CC(=O)O)C)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCOC1=C(C=C2C=C(C=CC2=C1)/C=C/C(=C/C(=O)O)/C)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C29H34O3/c1-3-8-32-27-15-24-7-6-20(5-4-19(2)9-28(30)31)13-25(24)14-26(27)29-16-21-10-22(17-29)12-23(11-21)18-29/h4-7,9,13-15,21-23H,3,8,10-12,16-18H2,1-2H3,(H,30,31)/b5-4+,19-9+