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

Systemtic Name: 4-[2-(1-hydroxyethyl)-2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid Openeye Name: 3-(1-ethylpropylamino)-4-[2-(1-hydroxyethyl)-2-(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]benzoic acid CAS Name: 4-[2-(1-hydroxyethyl)-2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(pentan-3-ylamino)benzoic acid IUPAC Name: 4-[2-(1-hydroxyethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid Traditional Name: 3-(1-ethylpropylamino)-4-[2-(1-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(CO)C(C)O

Isomeric SMILES

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

InChI

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