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

Systemtic Name: ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Openeye Name: ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate CAS Name: 4-[[[[1-[(2,5-dimethylphenyl)methyl]-2-pyrrolyl]methylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Traditional Name: 4-[[1-(2,5-dimethylbenzyl)pyrrol-2-yl]methylcarbamoylamino]benzoic acid ethyl ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c1-4-30-23(28)19-9-11-21(12-10-19)26-24(29)25-15-22-6-5-13-27(22)16-20-14-17(2)7-8-18(20)3/h5-14H,4,15-16H2,1-3H3,(H2,25,26,29)