[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-phenyl-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-phenylpropanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-3-ureido-propionic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC(=O)N(CCC#N)CCC#N)NC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)OCC(=O)N(CCC#N)CCC#N)NC(=O)N

InChI

InChI=1S/C18H21N5O4/c19-8-4-10-23(11-5-9-20)16(24)13-27-17(25)12-15(22-18(21)26)14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,10-13H2,(H3,21,22,26)