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

Systemtic Name: 1-[5-(3-azanyl-3-methyl-4-oxidanyl-butyl)thiophen-2-yl]-4-phenylmethoxy-butan-1-one Openeye Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-4-benzyloxy-butan-1-one CAS Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)-2-thiophenyl]-4-phenylmethoxy-1-butanone IUPAC Name: 1-[5-(3-amino-4-hydroxy-3-methylbutyl)thiophen-2-yl]-4-phenylmethoxybutan-1-one Traditional Name: 1-[5-(3-amino-4-hydroxy-3-methyl-butyl)-2-thienyl]-4-benzoxy-butan-1-one Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=O)CCCOCC2=CC=CC=C2)(CO)N

Isomeric SMILES

CC(CCC1=CC=C(S1)C(=O)CCCOCC2=CC=CC=C2)(CO)N

InChI

InChI=1S/C20H27NO3S/c1-20(21,15-22)12-11-17-9-10-19(25-17)18(23)8-5-13-24-14-16-6-3-2-4-7-16/h2-4,6-7,9-10,22H,5,8,11-15,21H2,1H3