[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (E)-3-(2-chlorophenyl)prop-2-enoate CAS Name: (E)-3-(2-chlorophenyl)-2-propenoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate Traditional Name: (E)-3-(2-chlorophenyl)acrylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C=CC4=CC=CC=C4Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)/C=C/C4=CC=CC=C4Cl

InChI

InChI=1S/C22H26ClNO3/c23-19-4-2-1-3-18(19)5-6-21(26)27-13-20(25)24-14-22-10-15-7-16(11-22)9-17(8-15)12-22/h1-6,15-17H,7-14H2,(H,24,25)/b6-5+