methyl 4-chloranyl-2-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Openeye Name: methyl 4-chloro-2-[[1-(o-tolylmethyl)pyrrol-2-yl]methylcarbamoylamino]benzoate CAS Name: 4-chloro-2-[[[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Traditional Name: 4-chloro-2-[[1-(2-methylbenzyl)pyrrol-2-yl]methylcarbamoylamino]benzoic acid methyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2CNC(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2CNC(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC

InChI

InChI=1S/C22H22ClN3O3/c1-15-6-3-4-7-16(15)14-26-11-5-8-18(26)13-24-22(28)25-20-12-17(23)9-10-19(20)21(27)29-2/h3-12H,13-14H2,1-2H3,(H2,24,25,28)