ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(4-methoxy-4-oxidanylidene-butanoyl)amino]benzoate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(4-methoxy-4-oxidanylidene-butanoyl)amino]benzoate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(4-methoxy-4-oxo-butanoyl)amino]benzoate CAS Name: 4-(1,3-benzodioxol-5-yloxy)-3-[(4-methoxy-1,4-dioxobutyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yloxy)-3-[(4-methoxy-4-oxobutanoyl)amino]benzoate Traditional Name: 4-(1,3-benzodioxol-5-yloxy)-3-[(4-keto-4-methoxy-butanoyl)amino]benzoic acid ethyl ester Formula: C21H21NO8 MolecularWeight: 415.39334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)OCO3)NC(=O)CCC(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)OC2=CC3=C(C=C2)OCO3)NC(=O)CCC(=O)OC

InChI

InChI=1S/C21H21NO8/c1-3-27-21(25)13-4-6-16(15(10-13)22-19(23)8-9-20(24)26-2)30-14-5-7-17-18(11-14)29-12-28-17/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,22,23)