[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-keto-2-(o-anisylamino)ethyl] ester Formula: C24H32N2O5 MolecularWeight: 428.52128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC1=CC=CC=C1OC)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCC1=CC=CC=C1OC)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H32N2O5/c1-15(26-23(29)24-10-16-7-17(11-24)9-18(8-16)12-24)22(28)31-14-21(27)25-13-19-5-3-4-6-20(19)30-2/h3-6,15-18H,7-14H2,1-2H3,(H,25,27)(H,26,29)/t15-,16?,17?,18?,24?/m0/s1