methyl 4-[[2-[1-(2,2-dimethyloxan-4-yl)-5-oxidanylidene-pyrrolidin-2-yl]ethylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[1-(2,2-dimethyloxan-4-yl)-5-oxidanylidene-pyrrolidin-2-yl]ethylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[1-(2,2-dimethyltetrahydropyran-4-yl)-5-oxo-pyrrolidin-2-yl]ethylamino]methyl]benzoate CAS Name: 4-[[2-[1-(2,2-dimethyl-4-oxanyl)-5-oxo-2-pyrrolidinyl]ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(2,2-dimethyloxan-4-yl)-5-oxopyrrolidin-2-yl]ethylamino]methyl]benzoate Traditional Name: 4-[[2-[1-(2,2-dimethyltetrahydropyran-4-yl)-5-keto-pyrrolidin-2-yl]ethylamino]methyl]benzoic acid methyl ester Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)N2C(CCC2=O)CCNCC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1(CC(CCO1)N2C(CCC2=O)CCNCC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C22H32N2O4/c1-22(2)14-19(11-13-28-22)24-18(8-9-20(24)25)10-12-23-15-16-4-6-17(7-5-16)21(26)27-3/h4-7,18-19,23H,8-15H2,1-3H3