(4-pyrrolidin-1-ylcarbonylphenyl)methyl 3,5-dimethylbenzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 3,5-dimethylbenzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OCC2=CC=C(C=C2)C(=O)N3CCCC3)C

InChI

InChI=1S/C21H23NO3/c1-15-11-16(2)13-19(12-15)21(24)25-14-17-5-7-18(8-6-17)20(23)22-9-3-4-10-22/h5-8,11-13H,3-4,9-10,14H2,1-2H3