2-(2-methoxynaphthalen-1-yl)-3-(2-methylpropylcarbamoylamino)hexanedioic acid

Systemtic Name: 2-(2-methoxynaphthalen-1-yl)-3-(2-methylpropylcarbamoylamino)hexanedioic acid Openeye Name: 3-(isobutylcarbamoylamino)-2-(2-methoxy-1-naphthyl)hexanedioic acid CAS Name: 2-(2-methoxy-1-naphthalenyl)-3-[[(2-methylpropylamino)-oxomethyl]amino]hexanedioic acid IUPAC Name: 2-(2-methoxynaphthalen-1-yl)-3-(2-methylpropylcarbamoylamino)hexanedioic acid Traditional Name: 3-(isobutylcarbamoylamino)-2-(2-methoxy-1-naphthyl)adipic acid Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CCC(=O)O)C(C1=C(C=CC2=CC=CC=C21)OC)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)NC(CCC(=O)O)C(C1=C(C=CC2=CC=CC=C21)OC)C(=O)O

InChI

InChI=1S/C22H28N2O6/c1-13(2)12-23-22(29)24-16(9-11-18(25)26)20(21(27)28)19-15-7-5-4-6-14(15)8-10-17(19)30-3/h4-8,10,13,16,20H,9,11-12H2,1-3H3,(H,25,26)(H,27,28)(H2,23,24,29)