5-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3,3-dimethyl-5-oxidanylidene-pentanoate Openeye Name: 5-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3,3-dimethyl-5-oxo-pentanoate CAS Name: 5-[[(1S)-1-[4-(1-imidazolyl)phenyl]ethyl]amino]-3,3-dimethyl-5-oxopentanoate IUPAC Name: 5-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3,3-dimethyl-5-oxopentanoate Traditional Name: 5-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-5-keto-3,3-dimethyl-valerate Formula: C18H22N3O3- MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CC(C)(C)CC(=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)N2C=CN=C2)NC(=O)CC(C)(C)CC(=O)[O-]

InChI

InChI=1S/C18H23N3O3/c1-13(20-16(22)10-18(2,3)11-17(23)24)14-4-6-15(7-5-14)21-9-8-19-12-21/h4-9,12-13H,10-11H2,1-3H3,(H,20,22)(H,23,24)/p-1/t13-/m0/s1