4,4-bis(azanyl)-6-(4-azanylcyclohexa-2,5-dien-1-yl)-2-ethyl-5-methyl-3-oxidanylidene-heptanoic acid

Systemtic Name: 4,4-bis(azanyl)-6-(4-azanylcyclohexa-2,5-dien-1-yl)-2-ethyl-5-methyl-3-oxidanylidene-heptanoic acid Openeye Name: 4,4-diamino-6-(4-aminocyclohexa-2,5-dien-1-yl)-2-ethyl-5-methyl-3-oxo-heptanoic acid CAS Name: 4,4-diamino-6-(4-amino-1-cyclohexa-2,5-dienyl)-2-ethyl-5-methyl-3-oxoheptanoic acid IUPAC Name: 4,4-diamino-6-(4-aminocyclohexa-2,5-dien-1-yl)-2-ethyl-5-methyl-3-oxoheptanoic acid Traditional Name: 4,4-diamino-6-(4-aminocyclohexa-2,5-dien-1-yl)-2-ethyl-3-keto-5-methyl-enanthic acid Formula: C16H27N3O3 MolecularWeight: 309.40388

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(C(C)C(C)C1C=CC(C=C1)N)(N)N)C(=O)O

Isomeric SMILES

CCC(C(=O)C(C(C)C(C)C1C=CC(C=C1)N)(N)N)C(=O)O

InChI

InChI=1S/C16H27N3O3/c1-4-13(15(21)22)14(20)16(18,19)10(3)9(2)11-5-7-12(17)8-6-11/h5-13H,4,17-19H2,1-3H3,(H,21,22)