2-[3-[5-(1-adamantyl)-4-methoxy-2-methyl-phenyl]-4-(methoxymethoxy)phenyl]prop-2-enoic acid

Systemtic Name: 2-[3-[5-(1-adamantyl)-4-methoxy-2-methyl-phenyl]-4-(methoxymethoxy)phenyl]prop-2-enoic acid Openeye Name: 2-[3-[5-(1-adamantyl)-4-methoxy-2-methyl-phenyl]-4-(methoxymethoxy)phenyl]prop-2-enoic acid CAS Name: 2-[3-[5-(1-adamantyl)-4-methoxy-2-methylphenyl]-4-(methoxymethoxy)phenyl]-2-propenoic acid IUPAC Name: 2-[3-[5-(1-adamantyl)-4-methoxy-2-methylphenyl]-4-(methoxymethoxy)phenyl]prop-2-enoic acid Traditional Name: 2-[3-[5-(1-adamantyl)-4-methoxy-2-methyl-phenyl]-4-(methoxymethoxy)phenyl]acrylic acid Formula: C29H34O5 MolecularWeight: 462.57726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=C(C=CC(=C2)C(=C)C(=O)O)OCOC)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

CC1=CC(=C(C=C1C2=C(C=CC(=C2)C(=C)C(=O)O)OCOC)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C29H34O5/c1-17-7-27(33-4)25(29-13-19-8-20(14-29)10-21(9-19)15-29)12-23(17)24-11-22(18(2)28(30)31)5-6-26(24)34-16-32-3/h5-7,11-12,19-21H,2,8-10,13-16H2,1,3-4H3,(H,30,31)