3-(3,3-dimethylbutylamino)-4-[(1-methoxy-1-oxidanylidene-propan-2-yl)-phenyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-(3,3-dimethylbutylamino)-4-[(1-methoxy-1-oxidanylidene-propan-2-yl)-phenyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-(3,3-dimethylbutylamino)-4-(N-(2-methoxy-1-methyl-2-oxo-ethyl)anilino)-4-oxo-butanoic acid CAS Name: 3-(3,3-dimethylbutylamino)-4-(N-(1-methoxy-1-oxopropan-2-yl)anilino)-4-oxobutanoic acid IUPAC Name: 3-(3,3-dimethylbutylamino)-4-(N-(1-methoxy-1-oxopropan-2-yl)anilino)-4-oxobutanoic acid Traditional Name: 3-(3,3-dimethylbutylamino)-4-keto-4-(N-(2-keto-2-methoxy-1-methyl-ethyl)anilino)butyric acid Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)N(C1=CC=CC=C1)C(=O)C(CC(=O)O)NCCC(C)(C)C

Isomeric SMILES

CC(C(=O)OC)N(C1=CC=CC=C1)C(=O)C(CC(=O)O)NCCC(C)(C)C

InChI

InChI=1S/C20H30N2O5/c1-14(19(26)27-5)22(15-9-7-6-8-10-15)18(25)16(13-17(23)24)21-12-11-20(2,3)4/h6-10,14,16,21H,11-13H2,1-5H3,(H,23,24)