methyl 2-(3-imidazol-1-ylpropylcarbamoylamino)-3-phenyl-propanoate

Systemtic Name: methyl 2-(3-imidazol-1-ylpropylcarbamoylamino)-3-phenyl-propanoate Openeye Name: methyl 2-(3-imidazol-1-ylpropylcarbamoylamino)-3-phenyl-propanoate CAS Name: 2-[[[3-(1-imidazolyl)propylamino]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-(3-imidazol-1-ylpropylcarbamoylamino)-3-phenylpropanoate Traditional Name: 2-(3-imidazol-1-ylpropylcarbamoylamino)-3-phenyl-propionic acid methyl ester Formula: C17H22N4O3 MolecularWeight: 330.38158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)NCCCN2C=CN=C2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)NCCCN2C=CN=C2

InChI

InChI=1S/C17H22N4O3/c1-24-16(22)15(12-14-6-3-2-4-7-14)20-17(23)19-8-5-10-21-11-9-18-13-21/h2-4,6-7,9,11,13,15H,5,8,10,12H2,1H3,(H2,19,20,23)