(3S)-3-(1-adamantylcarbonylamino)-3-(4-fluorophenyl)propanoate

Systemtic Name: (3S)-3-(1-adamantylcarbonylamino)-3-(4-fluorophenyl)propanoate Openeye Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-fluorophenyl)propanoate CAS Name: (3S)-3-[[1-adamantyl(oxo)methyl]amino]-3-(4-fluorophenyl)propanoate IUPAC Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-fluorophenyl)propanoate Traditional Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-fluorophenyl)propionate Formula: C20H23FNO3- MolecularWeight: 344.399923

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC(=O)[O-])C4=CC=C(C=C4)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N[C@@H](CC(=O)[O-])C4=CC=C(C=C4)F

InChI

InChI=1S/C20H24FNO3/c21-16-3-1-15(2-4-16)17(8-18(23)24)22-19(25)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,12-14,17H,5-11H2,(H,22,25)(H,23,24)/p-1/t12?,13?,14?,17-,20?/m0/s1