ethyl 4-[[1-(phenylmethyl)pyrrol-2-yl]methylcarbamoylamino]benzoate

Systemtic Name: ethyl 4-[[1-(phenylmethyl)pyrrol-2-yl]methylcarbamoylamino]benzoate Openeye Name: ethyl 4-[(1-benzylpyrrol-2-yl)methylcarbamoylamino]benzoate CAS Name: 4-[[oxo-[[1-(phenylmethyl)-2-pyrrolyl]methylamino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-benzylpyrrol-2-yl)methylcarbamoylamino]benzoate Traditional Name: 4-[(1-benzylpyrrol-2-yl)methylcarbamoylamino]benzoic acid ethyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-2-28-21(26)18-10-12-19(13-11-18)24-22(27)23-15-20-9-6-14-25(20)16-17-7-4-3-5-8-17/h3-14H,2,15-16H2,1H3,(H2,23,24,27)