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

Systemtic Name: ethyl 3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Openeye Name: ethyl 3-[[1-(o-tolylmethyl)pyrrol-2-yl]methylcarbamoylamino]benzoate CAS Name: 3-[[[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Traditional Name: 3-[[1-(2-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=C3C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CN2CC3=CC=CC=C3C

InChI

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