methyl 7-chloranyl-6-methyl-5-(4-methylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: methyl 7-chloranyl-6-methyl-5-(4-methylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 7-chloro-6-methyl-5-(4-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 7-chloro-6-methyl-5-[(4-methylphenyl)-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-6-methyl-5-(4-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 7-chloro-6-methyl-5-p-toluoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C18H18ClNO3 MolecularWeight: 331.79342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C(=C3N2CCC3C(=O)OC)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C(=C3N2CCC3C(=O)OC)Cl)C

InChI

InChI=1S/C18H18ClNO3/c1-10-4-6-12(7-5-10)17(21)15-11(2)14(19)16-13(18(22)23-3)8-9-20(15)16/h4-7,13H,8-9H2,1-3H3