1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]-1-methyl-pyrrol-2-yl]-4-(4-tert-butylphenyl)butan-1-one

Systemtic Name: 1-[5-[3-azanyl-3-(hydroxymethyl)pentyl]-1-methyl-pyrrol-2-yl]-4-(4-tert-butylphenyl)butan-1-one Openeye Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-1-methyl-pyrrol-2-yl]-4-(4-tert-butylphenyl)butan-1-one CAS Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-1-methyl-2-pyrrolyl]-4-(4-tert-butylphenyl)-1-butanone IUPAC Name: 1-[5-[3-amino-3-(hydroxymethyl)pentyl]-1-methylpyrrol-2-yl]-4-(4-tert-butylphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-3-methylol-pentyl)-1-methyl-pyrrol-2-yl]-4-(4-tert-butylphenyl)butan-1-one Formula: C25H38N2O2 MolecularWeight: 398.58142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC=C(N1C)C(=O)CCCC2=CC=C(C=C2)C(C)(C)C)(CO)N

Isomeric SMILES

CCC(CCC1=CC=C(N1C)C(=O)CCCC2=CC=C(C=C2)C(C)(C)C)(CO)N

InChI

InChI=1S/C25H38N2O2/c1-6-25(26,18-28)17-16-21-14-15-22(27(21)5)23(29)9-7-8-19-10-12-20(13-11-19)24(2,3)4/h10-15,28H,6-9,16-18,26H2,1-5H3