(2-methyl-5-pyrrolidin-1-yl-phenyl) benzoate

Systemtic Name: (2-methyl-5-pyrrolidin-1-yl-phenyl) benzoate Openeye Name: (2-methyl-5-pyrrolidin-1-yl-phenyl) benzoate CAS Name: benzoic acid [2-methyl-5-(1-pyrrolidinyl)phenyl] ester IUPAC Name: (2-methyl-5-pyrrolidin-1-ylphenyl) benzoate Traditional Name: benzoic acid (2-methyl-5-pyrrolidino-phenyl) ester Formula: C18H19NO2 MolecularWeight: 281.34896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCCC2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCCC2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H19NO2/c1-14-9-10-16(19-11-5-6-12-19)13-17(14)21-18(20)15-7-3-2-4-8-15/h2-4,7-10,13H,5-6,11-12H2,1H3