4-[[(1S)-1-(2,5-dimethylphenyl)-3-methoxy-3-oxidanylidene-propyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(1S)-1-(2,5-dimethylphenyl)-3-methoxy-3-oxidanylidene-propyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(1S)-1-(2,5-dimethylphenyl)-3-methoxy-3-oxo-propyl]amino]-4-oxo-butanoate CAS Name: 4-[[(1S)-1-(2,5-dimethylphenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate IUPAC Name: 4-[[(1S)-1-(2,5-dimethylphenyl)-3-methoxy-3-oxopropyl]amino]-4-oxobutanoate Traditional Name: 4-[[(1S)-1-(2,5-dimethylphenyl)-3-keto-3-methoxy-propyl]amino]-4-keto-butyrate Formula: C16H20NO5- MolecularWeight: 306.3337

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(CC(=O)OC)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H](CC(=O)OC)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H21NO5/c1-10-4-5-11(2)12(8-10)13(9-16(21)22-3)17-14(18)6-7-15(19)20/h4-5,8,13H,6-7,9H2,1-3H3,(H,17,18)(H,19,20)/p-1/t13-/m0/s1