[2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-oxo-2-[propyl(p-tolylmethyl)amino]ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-keto-2-[(4-methylbenzyl)-propyl-amino]ethyl] ester Formula: C18H21ClN2O3 MolecularWeight: 348.82394

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)COC(=O)C2=CC(=CN2)Cl

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)COC(=O)C2=CC(=CN2)Cl

InChI

InChI=1S/C18H21ClN2O3/c1-3-8-21(11-14-6-4-13(2)5-7-14)17(22)12-24-18(23)16-9-15(19)10-20-16/h4-7,9-10,20H,3,8,11-12H2,1-2H3