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

Systemtic Name: ethyl 2-[[pentyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]carbamoyl]amino]ethanoate Openeye Name: ethyl 2-[[(1-benzylpyrrol-2-yl)methyl-pentyl-carbamoyl]amino]acetate CAS Name: 2-[[oxo-[pentyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[(1-benzylpyrrol-2-yl)methyl-pentylcarbamoyl]amino]acetate Traditional Name: 2-[[amyl-[(1-benzylpyrrol-2-yl)methyl]carbamoyl]amino]acetic acid ethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)NCC(=O)OCC

Isomeric SMILES

CCCCCN(CC1=CC=CN1CC2=CC=CC=C2)C(=O)NCC(=O)OCC

InChI

InChI=1S/C22H31N3O3/c1-3-5-9-14-25(22(27)23-16-21(26)28-4-2)18-20-13-10-15-24(20)17-19-11-7-6-8-12-19/h6-8,10-13,15H,3-5,9,14,16-18H2,1-2H3,(H,23,27)