[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C=CC4=CC5=C(C(=C4)Cl)OCO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)/C=C/C4=CC5=C(C(=C4)Cl)OCO5

InChI

InChI=1S/C22H24ClNO5/c23-17-6-13(7-18-21(17)29-12-28-18)1-2-20(26)27-11-19(25)24-22-8-14-3-15(9-22)5-16(4-14)10-22/h1-2,6-7,14-16H,3-5,8-12H2,(H,24,25)/b2-1+