methyl 4-[2,2-bis(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(pentylamino)benzoate

Systemtic Name: methyl 4-[2,2-bis(hydroxymethyl)-5-oxidanylidene-pyrrolidin-1-yl]-3-(pentylamino)benzoate Openeye Name: methyl 4-[2,2-bis(hydroxymethyl)-5-oxo-pyrrolidin-1-yl]-3-(pentylamino)benzoate CAS Name: 4-[2,2-bis(hydroxymethyl)-5-oxo-1-pyrrolidinyl]-3-(pentylamino)benzoic acid methyl ester IUPAC Name: methyl 4-[2,2-bis(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-(pentylamino)benzoate Traditional Name: 3-(amylamino)-4-(5-keto-2,2-dimethylol-pyrrolidino)benzoic acid methyl ester Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=C(C=CC(=C1)C(=O)OC)N2C(=O)CCC2(CO)CO

Isomeric SMILES

CCCCCNC1=C(C=CC(=C1)C(=O)OC)N2C(=O)CCC2(CO)CO

InChI

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