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

Systemtic Name: 4-[2,2-bis(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(heptan-3-ylamino)benzoic acid Openeye Name: 4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(1-ethylpentylamino)benzoic acid CAS Name: 4-[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(heptan-3-ylamino)benzoic acid IUPAC Name: 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(heptan-3-ylamino)benzoic acid Traditional Name: 3-(1-ethylpentylamino)-4-(5-keto-2,2-dimethylol-pyrrolidino)benzoic acid Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5/c1-3-5-6-15(4-2)21-16-11-14(19(26)27)7-8-17(16)22-18(25)9-10-20(22,12-23)13-24/h7-8,11,15,21,23-24H,3-6,9-10,12-13H2,1-2H3,(H,26,27)