methyl 2-(heptan-2-ylcarbamoylamino)-3-phenyl-propanoate

Systemtic Name: methyl 2-(heptan-2-ylcarbamoylamino)-3-phenyl-propanoate Openeye Name: methyl 2-(1-methylhexylcarbamoylamino)-3-phenyl-propanoate CAS Name: 2-[[(heptan-2-ylamino)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-(heptan-2-ylcarbamoylamino)-3-phenylpropanoate Traditional Name: 2-(1-methylhexylcarbamoylamino)-3-phenyl-propionic acid methyl ester Formula: C18H28N2O3 MolecularWeight: 320.42652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)NC(CC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CCCCCC(C)NC(=O)NC(CC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C18H28N2O3/c1-4-5-7-10-14(2)19-18(22)20-16(17(21)23-3)13-15-11-8-6-9-12-15/h6,8-9,11-12,14,16H,4-5,7,10,13H2,1-3H3,(H2,19,20,22)