(7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-[(4-methoxyphenyl)carbamoylamino]propanoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 3-[(4-methoxyphenyl)carbamoylamino]propanoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-[(4-methoxyphenyl)carbamoylamino]propanoate CAS Name: 3-[[(4-methoxyanilino)-oxomethyl]amino]propanoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 3-[(4-methoxyphenyl)carbamoylamino]propanoate Traditional Name: 3-[(4-methoxyphenyl)carbamoylamino]propionic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C19H19ClN2O6 MolecularWeight: 406.81696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NCCC(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NCCC(=O)OCC2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C19H19ClN2O6/c1-25-14-4-2-13(3-5-14)22-19(24)21-7-6-17(23)26-10-12-8-15(20)18-16(9-12)27-11-28-18/h2-5,8-9H,6-7,10-11H2,1H3,(H2,21,22,24)