[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [2-(4-bromo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-methylanilino)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [2-(4-bromo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C19H18BrNO5 MolecularWeight: 420.25392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)COC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H18BrNO5/c1-12-8-14(20)4-5-15(12)21-18(22)10-24-19(23)7-3-13-2-6-16-17(9-13)26-11-25-16/h2,4-6,8-9H,3,7,10-11H2,1H3,(H,21,22)