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

Systemtic Name: ethyl 4-[[pentyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[(1-benzylpyrrol-2-yl)methyl-pentyl-carbamoyl]amino]benzoate CAS Name: 4-[[oxo-[pentyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1-benzylpyrrol-2-yl)methyl-pentylcarbamoyl]amino]benzoate Traditional Name: 4-[[amyl-[(1-benzylpyrrol-2-yl)methyl]carbamoyl]amino]benzoic acid ethyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O3/c1-3-5-9-18-30(21-25-13-10-19-29(25)20-22-11-7-6-8-12-22)27(32)28-24-16-14-23(15-17-24)26(31)33-4-2/h6-8,10-17,19H,3-5,9,18,20-21H2,1-2H3,(H,28,32)