ethyl 3-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate

Systemtic Name: ethyl 3-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Openeye Name: ethyl 3-[[1-(m-tolylmethyl)pyrrol-2-yl]methylcarbamoylamino]benzoate CAS Name: 3-[[[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Traditional Name: 3-[[1-(3-methylbenzyl)pyrrol-2-yl]methylcarbamoylamino]benzoic acid ethyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CN2CC3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CN2CC3=CC=CC(=C3)C

InChI

InChI=1S/C23H25N3O3/c1-3-29-22(27)19-9-5-10-20(14-19)25-23(28)24-15-21-11-6-12-26(21)16-18-8-4-7-17(2)13-18/h4-14H,3,15-16H2,1-2H3,(H2,24,25,28)