4-[2-(2-hydroxyethyl)-2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid

Systemtic Name: 4-[2-(2-hydroxyethyl)-2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid Openeye Name: 3-(1-ethylpropylamino)-4-[2-(2-hydroxyethyl)-2-(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]benzoic acid CAS Name: 4-[2-(2-hydroxyethyl)-2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(pentan-3-ylamino)benzoic acid IUPAC Name: 4-[2-(2-hydroxyethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid Traditional Name: 3-(1-ethylpropylamino)-4-[2-(2-hydroxyethyl)-5-keto-2-methylol-pyrrolidino]benzoic acid Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CCO)CO

Isomeric SMILES

CCC(CC)NC1=C(C=CC(=C1)C(=O)O)N2C(=O)CCC2(CCO)CO

InChI

InChI=1S/C19H28N2O5/c1-3-14(4-2)20-15-11-13(18(25)26)5-6-16(15)21-17(24)7-8-19(21,12-23)9-10-22/h5-6,11,14,20,22-23H,3-4,7-10,12H2,1-2H3,(H,25,26)