3-(1,3-benzodioxol-5-yl)-3-[(4-methylphenyl)carbonylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[(4-methylphenyl)carbonylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[(4-methylbenzoyl)amino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[(4-methylphenyl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[(4-methylbenzoyl)amino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-(p-toluoylamino)propionic acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5/c1-11-2-4-12(5-3-11)18(22)19-14(9-17(20)21)13-6-7-15-16(8-13)24-10-23-15/h2-8,14H,9-10H2,1H3,(H,19,22)(H,20,21)