ethyl 3-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylcarbamoylamino]benzoate

Systemtic Name: ethyl 3-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylcarbamoylamino]benzoate Openeye Name: ethyl 3-[[2,5-dimethyl-1-(m-tolyl)pyrrol-3-yl]methylcarbamoylamino]benzoate CAS Name: 3-[[[[2,5-dimethyl-1-(3-methylphenyl)-3-pyrrolyl]methylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylcarbamoylamino]benzoate Traditional Name: 3-[[2,5-dimethyl-1-(m-tolyl)pyrrol-3-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(=CC=C1)NC(=O)NCC2=C(N(C(=C2)C)C3=CC=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)NCC2=C(N(C(=C2)C)C3=CC=CC(=C3)C)C

InChI

InChI=1S/C24H27N3O3/c1-5-30-23(28)19-9-7-10-21(14-19)26-24(29)25-15-20-13-17(3)27(18(20)4)22-11-6-8-16(2)12-22/h6-14H,5,15H2,1-4H3,(H2,25,26,29)