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

Systemtic Name: ethyl 3-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylcarbamoylamino]benzoate Openeye Name: ethyl 3-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylcarbamoylamino]benzoate CAS Name: 3-[[[[1-(3-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylcarbamoylamino]benzoate Traditional Name: 3-[[1-(3-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylcarbamoylamino]benzoic acid ethyl ester Formula: C23H24ClN3O3 MolecularWeight: 425.90796

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C23H24ClN3O3/c1-4-30-22(28)17-7-5-9-20(12-17)26-23(29)25-14-18-11-15(2)27(16(18)3)21-10-6-8-19(24)13-21/h5-13H,4,14H2,1-3H3,(H2,25,26,29)