methyl 4-[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl]oxybenzoate

Systemtic Name: methyl 4-[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl]oxybenzoate Openeye Name: methyl 4-[(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethoxy]benzoate CAS Name: 4-[(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl]oxybenzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethoxy]benzoic acid methyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC1=CC=C(C=C1)C(=O)OC)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)OC1=CC=C(C=C1)C(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C21H25NO4/c1-4-16(17-8-6-5-7-9-17)14-22-20(23)15(2)26-19-12-10-18(11-13-19)21(24)25-3/h5-13,15-16H,4,14H2,1-3H3,(H,22,23)/t15-,16+/m0/s1