[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-(4-pentoxyphenyl)butanoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-pentoxyphenyl)butanoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-oxo-4-(4-pentoxyphenyl)butanoate Traditional Name: 4-(4-amoxyphenyl)-4-keto-butyric acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C23H29N3O5 MolecularWeight: 427.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C23H29N3O5/c1-2-3-4-17-30-20-9-7-19(8-10-20)21(27)11-12-23(29)31-18-22(28)26(15-5-13-24)16-6-14-25/h7-10H,2-6,11-12,15-18H2,1H3