ethyl (2S)-4-methyl-2-[[4-(2-pyridin-3-ylethyl)phenyl]carbonylamino]pentanoate

Systemtic Name: ethyl (2S)-4-methyl-2-[[4-(2-pyridin-3-ylethyl)phenyl]carbonylamino]pentanoate Openeye Name: ethyl (2S)-4-methyl-2-[[4-[2-(3-pyridyl)ethyl]benzoyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-[4-[2-(3-pyridinyl)ethyl]phenyl]methyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl (2S)-4-methyl-2-[[4-(2-pyridin-3-ylethyl)benzoyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[4-[2-(3-pyridyl)ethyl]benzoyl]amino]valeric acid ethyl ester Formula: C22H28N2O3 MolecularWeight: 368.46932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC(=O)C1=CC=C(C=C1)CCC2=CN=CC=C2

Isomeric SMILES

CCOC(=O)[C@H](CC(C)C)NC(=O)C1=CC=C(C=C1)CCC2=CN=CC=C2

InChI

InChI=1S/C22H28N2O3/c1-4-27-22(26)20(14-16(2)3)24-21(25)19-11-9-17(10-12-19)7-8-18-6-5-13-23-15-18/h5-6,9-13,15-16,20H,4,7-8,14H2,1-3H3,(H,24,25)/t20-/m0/s1