methyl (E)-3-[4-[1,3-bis(cyclohexylmethyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]cyclohex-3-en-1-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[1,3-bis(cyclohexylmethyl)-2,6-bis(oxidanylidene)-7H-purin-8-yl]cyclohex-3-en-1-yl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[1,3-bis(cyclohexylmethyl)-2,6-dioxo-7H-purin-8-yl]cyclohex-3-en-1-yl]prop-2-enoate CAS Name: (E)-3-[4-[1,3-bis(cyclohexylmethyl)-2,6-dioxo-7H-purin-8-yl]-1-cyclohex-3-enyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[1,3-bis(cyclohexylmethyl)-2,6-dioxo-7H-purin-8-yl]cyclohex-3-en-1-yl]prop-2-enoate Traditional Name: (E)-3-[4-[1,3-bis(cyclohexylmethyl)-2,6-diketo-7H-purin-8-yl]cyclohex-3-en-1-yl]acrylic acid methyl ester Formula: C29H40N4O4 MolecularWeight: 508.6523

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1CCC(=CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3CC4CCCCC4)CC5CCCCC5

Isomeric SMILES

COC(=O)/C=C/C1CCC(=CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3CC4CCCCC4)CC5CCCCC5

InChI

InChI=1S/C29H40N4O4/c1-37-24(34)17-14-20-12-15-23(16-13-20)26-30-25-27(31-26)32(18-21-8-4-2-5-9-21)29(36)33(28(25)35)19-22-10-6-3-7-11-22/h14-15,17,20-22H,2-13,16,18-19H2,1H3,(H,30,31)/b17-14+