(phenylmethyl) 4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate hydrate

Systemtic Name: (phenylmethyl) 4-(3-methoxy-3-oxidanylidene-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate hydrate Openeye Name: benzyl 4-(3-methoxy-3-oxo-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate hydrate CAS Name: 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester hydrate IUPAC Name: benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate hydrate Traditional Name: 4-(3-keto-3-methoxy-propyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid benzyl ester hydrate Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)OC)C)C(=O)OCC2=CC=CC=C2.O

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)OC)C)C(=O)OCC2=CC=CC=C2.O

InChI

InChI=1S/C18H21NO4.H2O/c1-12-15(9-10-16(20)22-3)13(2)19-17(12)18(21)23-11-14-7-5-4-6-8-14;/h4-8,19H,9-11H2,1-3H3;1H2