[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCC12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H30N2O4/c1-15(25-21(27)19-5-3-2-4-6-19)22(28)29-13-20(26)24-14-23-10-16-7-17(11-23)9-18(8-16)12-23/h2-6,15-18H,7-14H2,1H3,(H,24,26)(H,25,27)/t15-,16?,17?,18?,23?/m0/s1