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

Systemtic Name: 4-[2,2-bis(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(hexan-3-ylamino)benzoic acid Openeye Name: 4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(1-ethylbutylamino)benzoic acid CAS Name: 4-[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(hexan-3-ylamino)benzoic acid IUPAC Name: 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(hexan-3-ylamino)benzoic acid Traditional Name: 3-(1-ethylbutylamino)-4-(5-keto-2,2-dimethylol-pyrrolidino)benzoic acid Formula: C19H28N2O5 MolecularWeight: 364.43602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)NC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CO)CO

Isomeric SMILES

CCCC(CC)NC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CO)CO

InChI

InChI=1S/C19H28N2O5/c1-3-5-14(4-2)20-15-10-13(18(25)26)6-7-16(15)21-17(24)8-9-19(21,11-22)12-23/h6-7,10,14,20,22-23H,3-5,8-9,11-12H2,1-2H3,(H,25,26)