methyl 4-chloranyl-2-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Openeye Name: methyl 4-chloro-2-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate CAS Name: 4-chloro-2-[[[[1-[(2,5-dimethylphenyl)methyl]-2-pyrrolyl]methylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Traditional Name: 4-chloro-2-[[1-(2,5-dimethylbenzyl)pyrrol-2-yl]methylcarbamoylamino]benzoic acid methyl ester Formula: C23H24ClN3O3 MolecularWeight: 425.90796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=CC=C2CNC(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=CC=C2CNC(=O)NC3=C(C=CC(=C3)Cl)C(=O)OC

InChI

InChI=1S/C23H24ClN3O3/c1-15-6-7-16(2)17(11-15)14-27-10-4-5-19(27)13-25-23(29)26-21-12-18(24)8-9-20(21)22(28)30-3/h4-12H,13-14H2,1-3H3,(H2,25,26,29)