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

Systemtic Name: 3-(3,3-dimethylbutylamino)-4-[2-[(1-ethoxy-1-oxidanylidene-propan-2-yl)amino]phenyl]-4-oxidanylidene-butanoic acid Openeye Name: 3-(3,3-dimethylbutylamino)-4-[2-[(2-ethoxy-1-methyl-2-oxo-ethyl)amino]phenyl]-4-oxo-butanoic acid CAS Name: 3-(3,3-dimethylbutylamino)-4-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]phenyl]-4-oxobutanoic acid IUPAC Name: 3-(3,3-dimethylbutylamino)-4-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]phenyl]-4-oxobutanoic acid Traditional Name: 3-(3,3-dimethylbutylamino)-4-[2-[(2-ethoxy-2-keto-1-methyl-ethyl)amino]phenyl]-4-keto-butyric acid Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC1=CC=CC=C1C(=O)C(CC(=O)O)NCCC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C)NC1=CC=CC=C1C(=O)C(CC(=O)O)NCCC(C)(C)C

InChI

InChI=1S/C21H32N2O5/c1-6-28-20(27)14(2)23-16-10-8-7-9-15(16)19(26)17(13-18(24)25)22-12-11-21(3,4)5/h7-10,14,17,22-23H,6,11-13H2,1-5H3,(H,24,25)