methyl 4-[[[(3S)-3-imidazol-1-ylbutanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(3S)-3-imidazol-1-ylbutanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[(3S)-3-imidazol-1-ylbutanoyl]amino]methyl]benzoate CAS Name: 4-[[[(3S)-3-(1-imidazolyl)-1-oxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(3S)-3-imidazol-1-ylbutanoyl]amino]methyl]benzoate Traditional Name: 4-[[[(3S)-3-imidazol-1-ylbutanoyl]amino]methyl]benzoic acid methyl ester Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NCC1=CC=C(C=C1)C(=O)OC)N2C=CN=C2

Isomeric SMILES

C[C@@H](CC(=O)NCC1=CC=C(C=C1)C(=O)OC)N2C=CN=C2

InChI

InChI=1S/C16H19N3O3/c1-12(19-8-7-17-11-19)9-15(20)18-10-13-3-5-14(6-4-13)16(21)22-2/h3-8,11-12H,9-10H2,1-2H3,(H,18,20)/t12-/m0/s1