[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 4-[(isopropylcarbamoylamino)methyl]benzoate CAS Name: 4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]benzoic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate Traditional Name: 4-[(isopropylcarbamoylamino)methyl]benzoic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C18H22N4O4 MolecularWeight: 358.39168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C18H22N4O4/c1-11(2)22-18(25)21-9-13-4-6-14(7-5-13)17(24)26-10-16(23)15(8-19)12(3)20/h4-7,11,15,20H,9-10H2,1-3H3,(H2,21,22,25)/t15-/m0/s1