3-(2-azanyl-4-phenyl-1,3-benzodioxol-5-yl)propanoyl 4-azanyl-4-oxidanylidene-butanoate

Systemtic Name: 3-(2-azanyl-4-phenyl-1,3-benzodioxol-5-yl)propanoyl 4-azanyl-4-oxidanylidene-butanoate Openeye Name: 3-(2-amino-4-phenyl-1,3-benzodioxol-5-yl)propanoyl 4-amino-4-oxo-butanoate CAS Name: 4-amino-4-oxobutanoic acid [3-(2-amino-4-phenyl-1,3-benzodioxol-5-yl)-1-oxopropyl] ester IUPAC Name: 3-(2-amino-4-phenyl-1,3-benzodioxol-5-yl)propanoyl 4-amino-4-oxobutanoate Traditional Name: 4-amino-4-keto-butyric acid 3-(2-amino-4-phenyl-1,3-benzodioxol-5-yl)propanoyl ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC3=C2OC(O3)N)CCC(=O)OC(=O)CCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC3=C2OC(O3)N)CCC(=O)OC(=O)CCC(=O)N

InChI

InChI=1S/C20H20N2O6/c21-15(23)9-11-17(25)27-16(24)10-7-13-6-8-14-19(28-20(22)26-14)18(13)12-4-2-1-3-5-12/h1-6,8,20H,7,9-11,22H2,(H2,21,23)