(E)-3-[6-[3-(1-adamantyl)-4-oxidanyl-phenyl]-5-ethoxy-naphthalen-2-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[6-[3-(1-adamantyl)-4-oxidanyl-phenyl]-5-ethoxy-naphthalen-2-yl]prop-2-enoic acid Openeye Name: (E)-3-[6-[3-(1-adamantyl)-4-hydroxy-phenyl]-5-ethoxy-2-naphthyl]prop-2-enoic acid CAS Name: (E)-3-[6-[3-(1-adamantyl)-4-hydroxyphenyl]-5-ethoxy-2-naphthalenyl]-2-propenoic acid IUPAC Name: (E)-3-[6-[3-(1-adamantyl)-4-hydroxyphenyl]-5-ethoxynaphthalen-2-yl]prop-2-enoic acid Traditional Name: (E)-3-[6-[3-(1-adamantyl)-4-hydroxy-phenyl]-5-ethoxy-2-naphthyl]acrylic acid Formula: C31H32O4 MolecularWeight: 468.58338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC2=C1C=CC(=C2)C=CC(=O)O)C3=CC(=C(C=C3)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=C(C=CC2=C1C=CC(=C2)/C=C/C(=O)O)C3=CC(=C(C=C3)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H32O4/c1-2-35-30-25-7-3-19(4-10-29(33)34)14-23(25)5-8-26(30)24-6-9-28(32)27(15-24)31-16-20-11-21(17-31)13-22(12-20)18-31/h3-10,14-15,20-22,32H,2,11-13,16-18H2,1H3,(H,33,34)/b10-4+