methyl 4-[2,2-bis(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(hexylamino)benzoate

Systemtic Name: methyl 4-[2,2-bis(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(hexylamino)benzoate Openeye Name: methyl 4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(hexylamino)benzoate CAS Name: 4-[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(hexylamino)benzoic acid methyl ester IUPAC Name: methyl 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(hexylamino)benzoate Traditional Name: 3-(hexylamino)-4-(5-keto-2,2-dimethylol-pyrrolidino)benzoic acid methyl ester Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C=CC(=C1)C(=O)OC)N2C(=O)CCC2(CO)CO

Isomeric SMILES

CCCCCCNC1=C(C=CC(=C1)C(=O)OC)N2C(=O)CCC2(CO)CO

InChI

InChI=1S/C20H30N2O5/c1-3-4-5-6-11-21-16-12-15(19(26)27-2)7-8-17(16)22-18(25)9-10-20(22,13-23)14-24/h7-8,12,21,23-24H,3-6,9-11,13-14H2,1-2H3