3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methyl-pyrrolidine-1-carboxylate

Systemtic Name: 3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methyl-pyrrolidine-1-carboxylate Openeye Name: 3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methyl-pyrrolidine-1-carboxylate CAS Name: 3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methyl-1-pyrrolidinecarboxylate IUPAC Name: 3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methylpyrrolidine-1-carboxylate Traditional Name: 3-[4-methoxy-3-(3-phenylprop-2-ynoxy)phenyl]-4-methyl-pyrrolidine-1-carboxylate Formula: C22H22NO4- MolecularWeight: 364.41438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1C2=CC(=C(C=C2)OC)OCC#CC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC1CN(CC1C2=CC(=C(C=C2)OC)OCC#CC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H23NO4/c1-16-14-23(22(24)25)15-19(16)18-10-11-20(26-2)21(13-18)27-12-6-9-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16,19H,12,14-15H2,1-2H3,(H,24,25)/p-1