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

Systemtic Name: methyl 4-[2-(2-hydroxyethyl)-2-(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoate Openeye Name: methyl 3-(1-ethylpropylamino)-4-[2-(2-hydroxyethyl)-2-(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]benzoate CAS Name: 4-[2-(2-hydroxyethyl)-2-(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(pentan-3-ylamino)benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-hydroxyethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(pentan-3-ylamino)benzoate Traditional Name: 3-(1-ethylpropylamino)-4-[2-(2-hydroxyethyl)-5-keto-2-methylol-pyrrolidino]benzoic acid methyl ester Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5/c1-4-15(5-2)21-16-12-14(19(26)27-3)6-7-17(16)22-18(25)8-9-20(22,13-24)10-11-23/h6-7,12,15,21,23-24H,4-5,8-11,13H2,1-3H3