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

Systemtic Name: 1-[5-[(3R)-3-azanyl-3-methyl-4-oxidanyl-butyl]-4-chloranyl-1-methyl-pyrrol-2-yl]-4-(4-methylphenyl)butan-1-one Openeye Name: 1-[5-[(3R)-3-amino-4-hydroxy-3-methyl-butyl]-4-chloro-1-methyl-pyrrol-2-yl]-4-(p-tolyl)butan-1-one CAS Name: 1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]-4-chloro-1-methyl-2-pyrrolyl]-4-(4-methylphenyl)-1-butanone IUPAC Name: 1-[5-[(3R)-3-amino-4-hydroxy-3-methylbutyl]-4-chloro-1-methylpyrrol-2-yl]-4-(4-methylphenyl)butan-1-one Traditional Name: 1-[5-[(3R)-3-amino-4-hydroxy-3-methyl-butyl]-4-chloro-1-methyl-pyrrol-2-yl]-4-(p-tolyl)butan-1-one Formula: C21H29ClN2O2 MolecularWeight: 376.92016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCCC(=O)C2=CC(=C(N2C)CCC(C)(CO)N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CCCC(=O)C2=CC(=C(N2C)CC[C@](C)(CO)N)Cl

InChI

InChI=1S/C21H29ClN2O2/c1-15-7-9-16(10-8-15)5-4-6-20(26)19-13-17(22)18(24(19)3)11-12-21(2,23)14-25/h7-10,13,25H,4-6,11-12,14,23H2,1-3H3/t21-/m1/s1