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

Systemtic Name: methyl 3-[[1-(phenylmethyl)pyrrol-2-yl]methylcarbamoylamino]benzoate Openeye Name: methyl 3-[(1-benzylpyrrol-2-yl)methylcarbamoylamino]benzoate CAS Name: 3-[[oxo-[[1-(phenylmethyl)-2-pyrrolyl]methylamino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(1-benzylpyrrol-2-yl)methylcarbamoylamino]benzoate Traditional Name: 3-[(1-benzylpyrrol-2-yl)methylcarbamoylamino]benzoic acid methyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CN2CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-27-20(25)17-9-5-10-18(13-17)23-21(26)22-14-19-11-6-12-24(19)15-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H2,22,23,26)