2-(octylcarbamoylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(octylcarbamoylamino)-3-phenyl-propanoic acid Openeye Name: 2-(octylcarbamoylamino)-3-phenyl-propanoic acid CAS Name: 2-[[(octylamino)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-(octylcarbamoylamino)-3-phenylpropanoic acid Traditional Name: 2-(octylcarbamoylamino)-3-phenyl-propionic acid Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCCCCCNC(=O)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C18H28N2O3/c1-2-3-4-5-6-10-13-19-18(23)20-16(17(21)22)14-15-11-8-7-9-12-15/h7-9,11-12,16H,2-6,10,13-14H2,1H3,(H,21,22)(H2,19,20,23)