1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-4-(4-ethylphenyl)butan-1-one

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-4-(4-ethylphenyl)butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(4-ethylphenyl)butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methyl-2-pyrrolyl]-4-(4-ethylphenyl)-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methylpyrrol-2-yl]-4-(4-ethylphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(4-ethylphenyl)butan-1-one Formula: C22H32N2O2 MolecularWeight: 356.50168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCCC(=O)C2=CC=C(N2C)CCC(C)(CO)N

Isomeric SMILES

CCC1=CC=C(C=C1)CCCC(=O)C2=CC=C(N2C)CCC(C)(CO)N

InChI

InChI=1S/C22H32N2O2/c1-4-17-8-10-18(11-9-17)6-5-7-21(26)20-13-12-19(24(20)3)14-15-22(2,23)16-25/h8-13,25H,4-7,14-16,23H2,1-3H3