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

Systemtic Name: methyl 4-[2,2-bis(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(heptylamino)benzoate Openeye Name: methyl 4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(heptylamino)benzoate CAS Name: 4-[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(heptylamino)benzoic acid methyl ester IUPAC Name: methyl 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(heptylamino)benzoate Traditional Name: 3-(heptylamino)-4-(5-keto-2,2-dimethylol-pyrrolidino)benzoic acid methyl ester Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=C(C=CC(=C1)C(=O)OC)N2C(=O)CCC2(CO)CO

Isomeric SMILES

CCCCCCCNC1=C(C=CC(=C1)C(=O)OC)N2C(=O)CCC2(CO)CO

InChI

InChI=1S/C21H32N2O5/c1-3-4-5-6-7-12-22-17-13-16(20(27)28-2)8-9-18(17)23-19(26)10-11-21(23,14-24)15-25/h8-9,13,22,24-25H,3-7,10-12,14-15H2,1-2H3