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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)-1-methyl-pyrrol-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methyl-2-pyrrolyl]-4-(3,4-dimethoxyphenyl)-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-1-methylpyrrol-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-1-methyl-pyrrol-2-yl]-4-(3,4-dimethoxyphenyl)butan-1-one Formula: C22H32N2O4 MolecularWeight: 388.50048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O4/c1-22(23,15-25)13-12-17-9-10-18(24(17)2)19(26)7-5-6-16-8-11-20(27-3)21(14-16)28-4/h8-11,14,25H,5-7,12-13,15,23H2,1-4H3