3-(2-methylpropylcarbamoylamino)-3-naphthalen-2-yl-hexanedioic acid

Systemtic Name: 3-(2-methylpropylcarbamoylamino)-3-naphthalen-2-yl-hexanedioic acid Openeye Name: 3-(isobutylcarbamoylamino)-3-(2-naphthyl)hexanedioic acid CAS Name: 3-[[(2-methylpropylamino)-oxomethyl]amino]-3-(2-naphthalenyl)hexanedioic acid IUPAC Name: 3-(2-methylpropylcarbamoylamino)-3-naphthalen-2-ylhexanedioic acid Traditional Name: 3-(isobutylcarbamoylamino)-3-(2-naphthyl)adipic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(CCC(=O)O)(CC(=O)O)C1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CC(C)CNC(=O)NC(CCC(=O)O)(CC(=O)O)C1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C21H26N2O5/c1-14(2)13-22-20(28)23-21(12-19(26)27,10-9-18(24)25)17-8-7-15-5-3-4-6-16(15)11-17/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,24,25)(H,26,27)(H2,22,23,28)