methyl 2-[5-[cyano-(4-methylphenyl)-oxidanyl-methyl]-1-methyl-pyrrol-2-yl]ethanoate

Systemtic Name: methyl 2-[5-[cyano-(4-methylphenyl)-oxidanyl-methyl]-1-methyl-pyrrol-2-yl]ethanoate Openeye Name: methyl 2-[5-[cyano-hydroxy-(p-tolyl)methyl]-1-methyl-pyrrol-2-yl]acetate CAS Name: 2-[5-[cyano-hydroxy-(4-methylphenyl)methyl]-1-methyl-2-pyrrolyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-[cyano-hydroxy-(4-methylphenyl)methyl]-1-methylpyrrol-2-yl]acetate Traditional Name: 2-[5-[cyano-hydroxy-(p-tolyl)methyl]-1-methyl-pyrrol-2-yl]acetic acid methyl ester Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C#N)(C2=CC=C(N2C)CC(=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C#N)(C2=CC=C(N2C)CC(=O)OC)O

InChI

InChI=1S/C17H18N2O3/c1-12-4-6-13(7-5-12)17(21,11-18)15-9-8-14(19(15)2)10-16(20)22-3/h4-9,21H,10H2,1-3H3