2-[(2-bromanyl-5-methoxy-phenyl)carbonyl-(cyclopropylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(2-bromanyl-5-methoxy-phenyl)carbonyl-(cyclopropylmethyl)amino]ethanoic acid Openeye Name: 2-[(2-bromo-5-methoxy-benzoyl)-(cyclopropylmethyl)amino]acetic acid CAS Name: 2-[[(2-bromo-5-methoxyphenyl)-oxomethyl]-(cyclopropylmethyl)amino]acetic acid IUPAC Name: 2-[(2-bromo-5-methoxybenzoyl)-(cyclopropylmethyl)amino]acetic acid Traditional Name: 2-[(2-bromo-5-methoxy-benzoyl)-(cyclopropylmethyl)amino]acetic acid Formula: C14H16BrNO4 MolecularWeight: 342.18514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N(CC2CC2)CC(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N(CC2CC2)CC(=O)O

InChI

InChI=1S/C14H16BrNO4/c1-20-10-4-5-12(15)11(6-10)14(19)16(8-13(17)18)7-9-2-3-9/h4-6,9H,2-3,7-8H2,1H3,(H,17,18)