[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-2-propenoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (E)-3-(1,3-benzoxazol-2-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)acrylic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C=CC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)/C=C/C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C23H25N3O5/c27-19(13-30-21(28)6-5-20-24-17-3-1-2-4-18(17)31-20)25-22(29)26-23-10-14-7-15(11-23)9-16(8-14)12-23/h1-6,14-16H,7-13H2,(H2,25,26,27,29)/b6-5+