methyl 2-[1-methyl-5-(3-propylphenyl)carbonyl-pyrrol-2-yl]ethanoate

Systemtic Name: methyl 2-[1-methyl-5-(3-propylphenyl)carbonyl-pyrrol-2-yl]ethanoate Openeye Name: methyl 2-[1-methyl-5-(3-propylbenzoyl)pyrrol-2-yl]acetate CAS Name: 2-[1-methyl-5-[oxo-(3-propylphenyl)methyl]-2-pyrrolyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-methyl-5-(3-propylbenzoyl)pyrrol-2-yl]acetate Traditional Name: 2-[1-methyl-5-(3-propylbenzoyl)pyrrol-2-yl]acetic acid methyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1)C(=O)C2=CC=C(N2C)CC(=O)OC

Isomeric SMILES

CCCC1=CC=CC(=C1)C(=O)C2=CC=C(N2C)CC(=O)OC

InChI

InChI=1S/C18H21NO3/c1-4-6-13-7-5-8-14(11-13)18(21)16-10-9-15(19(16)2)12-17(20)22-3/h5,7-11H,4,6,12H2,1-3H3