quinolin-2-ylmethyl (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: quinolin-2-ylmethyl (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: 2-quinolylmethyl (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid 2-quinolinylmethyl ester IUPAC Name: quinolin-2-ylmethyl (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid 2-quinolylmethyl ester Formula: C24H28N2O3 MolecularWeight: 392.49072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC2=CC=CC=C2C=C1)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)OCC1=NC2=CC=CC=C2C=C1)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H28N2O3/c1-15(22(27)29-14-20-7-6-19-4-2-3-5-21(19)26-20)25-23(28)24-11-16-8-17(12-24)10-18(9-16)13-24/h2-7,15-18H,8-14H2,1H3,(H,25,28)/t15-,16?,17?,18?,24?/m0/s1