2-[2-(5-bromanyl-6-methoxy-naphthalen-2-yl)propanoylamino]butanedioic acid

Systemtic Name: 2-[2-(5-bromanyl-6-methoxy-naphthalen-2-yl)propanoylamino]butanedioic acid Openeye Name: 2-[2-(5-bromo-6-methoxy-2-naphthyl)propanoylamino]butanedioic acid CAS Name: 2-[[2-(5-bromo-6-methoxy-2-naphthalenyl)-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[2-(5-bromo-6-methoxynaphthalen-2-yl)propanoylamino]butanedioic acid Traditional Name: 2-[2-(5-bromo-6-methoxy-2-naphthyl)propanoylamino]succinic acid Formula: C18H18BrNO6 MolecularWeight: 424.24262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C(=C(C=C2)OC)Br)C(=O)NC(CC(=O)O)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)C(=C(C=C2)OC)Br)C(=O)NC(CC(=O)O)C(=O)O

InChI

InChI=1S/C18H18BrNO6/c1-9(17(23)20-13(18(24)25)8-15(21)22)10-3-5-12-11(7-10)4-6-14(26-2)16(12)19/h3-7,9,13H,8H2,1-2H3,(H,20,23)(H,21,22)(H,24,25)