[2-[(4-dimethylaminophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[(4-dimethylaminophenyl)methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[(4-dimethylaminophenyl)methyl-[[(2R)-2-oxolanyl]methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[[4-(dimethylamino)benzyl]-[[(2R)-tetrahydrofuran-2-yl]methyl]amino]-2-keto-ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN(CC2CCCO2)C(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN(C[C@H]2CCCO2)C(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H27N3O4/c1-26(2)21-11-7-19(8-12-21)15-27(16-22-4-3-13-30-22)23(28)17-31-24(29)20-9-5-18(14-25)6-10-20/h5-12,22H,3-4,13,15-17H2,1-2H3/t22-/m1/s1