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

Systemtic Name: 4-[2,2-bis(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid Openeye Name: 4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(1-ethylpropylamino)benzoic acid CAS Name: 4-[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(pentan-3-ylamino)benzoic acid IUPAC Name: 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoic acid Traditional Name: 3-(1-ethylpropylamino)-4-(5-keto-2,2-dimethylol-pyrrolidino)benzoic acid Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5/c1-3-13(4-2)19-14-9-12(17(24)25)5-6-15(14)20-16(23)7-8-18(20,10-21)11-22/h5-6,9,13,19,21-22H,3-4,7-8,10-11H2,1-2H3,(H,24,25)