2-(2-chloranylethanoylamino)-3-(2,2-diphenyl-1,3-benzodioxol-5-yl)-2-methyl-propanoic acid

Systemtic Name: 2-(2-chloranylethanoylamino)-3-(2,2-diphenyl-1,3-benzodioxol-5-yl)-2-methyl-propanoic acid Openeye Name: 2-[(2-chloroacetyl)amino]-3-(2,2-diphenyl-1,3-benzodioxol-5-yl)-2-methyl-propanoic acid CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-3-(2,2-diphenyl-1,3-benzodioxol-5-yl)-2-methylpropanoic acid IUPAC Name: 2-[(2-chloroacetyl)amino]-3-(2,2-diphenyl-1,3-benzodioxol-5-yl)-2-methylpropanoic acid Traditional Name: 2-[(2-chloroacetyl)amino]-3-(2,2-diphenyl-1,3-benzodioxol-5-yl)-2-methyl-propionic acid Formula: C25H22ClNO5 MolecularWeight: 451.89888

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)(C(=O)O)NC(=O)CCl

Isomeric SMILES

CC(CC1=CC2=C(C=C1)OC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)(C(=O)O)NC(=O)CCl

InChI

InChI=1S/C25H22ClNO5/c1-24(23(29)30,27-22(28)16-26)15-17-12-13-20-21(14-17)32-25(31-20,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-14H,15-16H2,1H3,(H,27,28)(H,29,30)