ethyl (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: ethyl (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: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C30H42N4O4 MolecularWeight: 522.67888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42N4O4/c1-2-38-25(35)18-15-21-13-16-24(17-14-21)27-31-26-28(32-27)33(19-22-9-5-3-6-10-22)30(37)34(29(26)36)20-23-11-7-4-8-12-23/h15-16,18,21-23H,2-14,17,19-20H2,1H3,(H,31,32)/b18-15+