methyl 4-[[[(2S,3S)-3-methyl-2-phenyl-pentanoyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[(2S,3S)-3-methyl-2-phenyl-pentanoyl]amino]methyl]benzoate Openeye Name: methyl 4-[[[(2S,3S)-3-methyl-2-phenyl-pentanoyl]amino]methyl]benzoate CAS Name: 4-[[[(2S,3S)-3-methyl-1-oxo-2-phenylpentyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[(2S,3S)-3-methyl-2-phenylpentanoyl]amino]methyl]benzoate Traditional Name: 4-[[[(2S,3S)-3-methyl-2-phenyl-pentanoyl]amino]methyl]benzoic acid methyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC[C@H](C)[C@@H](C1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H25NO3/c1-4-15(2)19(17-8-6-5-7-9-17)20(23)22-14-16-10-12-18(13-11-16)21(24)25-3/h5-13,15,19H,4,14H2,1-3H3,(H,22,23)/t15-,19-/m0/s1