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

Systemtic Name: methyl 4-[(2S)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate Openeye Name: methyl 4-[(1S)-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethoxy]benzoate CAS Name: 4-[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoic acid methyl ester IUPAC Name: methyl 4-[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-2-keto-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethoxy]benzoic acid methyl ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)OC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@H](C)OC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H25NO4/c1-15(9-10-17-7-5-4-6-8-17)22-20(23)16(2)26-19-13-11-18(12-14-19)21(24)25-3/h4-8,11-16H,9-10H2,1-3H3,(H,22,23)/t15-,16+/m1/s1