methyl 3-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate

Systemtic Name: methyl 3-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Openeye Name: methyl 3-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate CAS Name: 3-[[[[1-[(2,5-dimethylphenyl)methyl]-2-pyrrolyl]methylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate Traditional Name: 3-[[1-(2,5-dimethylbenzyl)pyrrol-2-yl]methylcarbamoylamino]benzoic acid methyl ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=CC=C2CNC(=O)NC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=CC=C2CNC(=O)NC3=CC=CC(=C3)C(=O)OC

InChI

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