[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-propan-2-yloxy-benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 3-chloro-4-isopropoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-propan-2-yloxybenzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate Traditional Name: 3-chloro-4-isopropoxy-5-methoxy-benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C19H22ClN3O5 MolecularWeight: 407.84808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N(CCC#N)CCC#N)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1Cl)C(=O)OCC(=O)N(CCC#N)CCC#N)OC

InChI

InChI=1S/C19H22ClN3O5/c1-13(2)28-18-15(20)10-14(11-16(18)26-3)19(25)27-12-17(24)23(8-4-6-21)9-5-7-22/h10-11,13H,4-5,8-9,12H2,1-3H3