[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3,4-dimethoxy-5-prop-2-enyl-benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3,4-dimethoxy-5-prop-2-enyl-benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-allyl-4,5-dimethoxy-benzoate CAS Name: 3,4-dimethoxy-5-prop-2-enylbenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3,4-dimethoxy-5-prop-2-enylbenzoate Traditional Name: 3-allyl-4,5-dimethoxy-benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)CC=C)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)CC=C)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C20H23N3O5/c1-4-7-15-12-16(13-17(26-2)19(15)27-3)20(25)28-14-18(24)23(10-5-8-21)11-6-9-22/h4,12-13H,1,5-7,10-11,14H2,2-3H3