[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)N(C)CCC#N

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)N(C)CCC#N

InChI

InChI=1S/C18H24N4O4/c1-13(2)21-18(25)20-11-14-5-7-15(8-6-14)17(24)26-12-16(23)22(3)10-4-9-19/h5-8,13H,4,10-12H2,1-3H3,(H2,20,21,25)