[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-propan-2-ylbenzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-isopropylbenzoate CAS Name: 4-propan-2-ylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-propan-2-ylbenzoate Traditional Name: 4-isopropylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-14(2)15-5-7-16(8-6-15)18(23)24-13-17(22)21(11-3-9-19)12-4-10-20/h5-8,14H,3-4,11-13H2,1-2H3