ethyl 4-oxidanylidene-4-[pentyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[pentyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]amino]butanoate Openeye Name: ethyl 4-[(1-benzylpyrrol-2-yl)methyl-pentyl-amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[pentyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(1-benzylpyrrol-2-yl)methyl-pentylamino]-4-oxobutanoate Traditional Name: 4-[amyl-[(1-benzylpyrrol-2-yl)methyl]amino]-4-keto-butyric acid ethyl ester Formula: C23H32N2O3 MolecularWeight: 384.51178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3/c1-3-5-9-16-25(22(26)14-15-23(27)28-4-2)19-21-13-10-17-24(21)18-20-11-7-6-8-12-20/h6-8,10-13,17H,3-5,9,14-16,18-19H2,1-2H3