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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-4-chloranyl-1-methyl-pyrrol-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-chloro-1-methyl-pyrrol-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-chloro-1-methyl-2-pyrrolyl]-4-(3,4-dimethoxyphenyl)-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-4-chloro-1-methylpyrrol-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-4-chloro-1-methyl-pyrrol-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one Formula: C22H31ClN2O4 MolecularWeight: 422.94554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31ClN2O4/c1-22(24,14-26)11-10-17-16(23)13-18(25(17)2)19(27)7-5-6-15-8-9-20(28-3)21(12-15)29-4/h8-9,12-13,26H,5-7,10-11,14,24H2,1-4H3