(E)-3-[4-[1,3-bis(cyclohexylmethyl)-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[1,3-bis(cyclohexylmethyl)-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-[1,3-bis(cyclohexylmethyl)-7-methyl-2,6-dioxo-purin-8-yl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[1,3-bis(cyclohexylmethyl)-7-methyl-2,6-dioxo-8-purinyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-[1,3-bis(cyclohexylmethyl)-7-methyl-2,6-dioxopurin-8-yl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-[1,3-bis(cyclohexylmethyl)-2,6-diketo-7-methyl-purin-8-yl]phenyl]acrylic acid Formula: C29H36N4O4 MolecularWeight: 504.62054

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(C=C3)C=CC(=O)O)N(C(=O)N(C2=O)CC4CCCCC4)CC5CCCCC5

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)/C=C/C(=O)O)N(C(=O)N(C2=O)CC4CCCCC4)CC5CCCCC5

InChI

InChI=1S/C29H36N4O4/c1-31-25-27(30-26(31)23-15-12-20(13-16-23)14-17-24(34)35)32(18-21-8-4-2-5-9-21)29(37)33(28(25)36)19-22-10-6-3-7-11-22/h12-17,21-22H,2-11,18-19H2,1H3,(H,34,35)/b17-14+