2-[[2,6-bis(bromanyl)-4-methyl-phenyl]carbamoyl-(cyclopropylmethyl)amino]ethanoic acid

Systemtic Name: 2-[[2,6-bis(bromanyl)-4-methyl-phenyl]carbamoyl-(cyclopropylmethyl)amino]ethanoic acid Openeye Name: 2-[cyclopropylmethyl-[(2,6-dibromo-4-methyl-phenyl)carbamoyl]amino]acetic acid CAS Name: 2-[cyclopropylmethyl-[(2,6-dibromo-4-methylanilino)-oxomethyl]amino]acetic acid IUPAC Name: 2-[cyclopropylmethyl-[(2,6-dibromo-4-methylphenyl)carbamoyl]amino]acetic acid Traditional Name: 2-[cyclopropylmethyl-[(2,6-dibromo-4-methyl-phenyl)carbamoyl]amino]acetic acid Formula: C14H16Br2N2O3 MolecularWeight: 420.09644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)NC(=O)N(CC2CC2)CC(=O)O)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)NC(=O)N(CC2CC2)CC(=O)O)Br

InChI

InChI=1S/C14H16Br2N2O3/c1-8-4-10(15)13(11(16)5-8)17-14(21)18(7-12(19)20)6-9-2-3-9/h4-5,9H,2-3,6-7H2,1H3,(H,17,21)(H,19,20)