4-[2,2-bis(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(propylamino)benzoic acid

Systemtic Name: 4-[2,2-bis(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(propylamino)benzoic acid Openeye Name: 4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(propylamino)benzoic acid CAS Name: 4-[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(propylamino)benzoic acid IUPAC Name: 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(propylamino)benzoic acid Traditional Name: 4-(5-keto-2,2-dimethylol-pyrrolidino)-3-(propylamino)benzoic acid Formula: C16H22N2O5 MolecularWeight: 322.35628

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CO)CO

Isomeric SMILES

CCCNC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CO)CO

InChI

InChI=1S/C16H22N2O5/c1-2-7-17-12-8-11(15(22)23)3-4-13(12)18-14(21)5-6-16(18,9-19)10-20/h3-4,8,17,19-20H,2,5-7,9-10H2,1H3,(H,22,23)