ethyl 4-[[butyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]carbamoyl]amino]benzoate

Systemtic Name: ethyl 4-[[butyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[(1-benzylpyrrol-2-yl)methyl-butyl-carbamoyl]amino]benzoate CAS Name: 4-[[[butyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1-benzylpyrrol-2-yl)methyl-butylcarbamoyl]amino]benzoate Traditional Name: 4-[[(1-benzylpyrrol-2-yl)methyl-butyl-carbamoyl]amino]benzoic acid ethyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C26H31N3O3/c1-3-5-17-29(20-24-12-9-18-28(24)19-21-10-7-6-8-11-21)26(31)27-23-15-13-22(14-16-23)25(30)32-4-2/h6-16,18H,3-5,17,19-20H2,1-2H3,(H,27,31)