3-[4-(2-thiophen-2-ylethyl)phenoxy]propyl 3-azanyl-2-methyl-butanoate

Systemtic Name: 3-[4-(2-thiophen-2-ylethyl)phenoxy]propyl 3-azanyl-2-methyl-butanoate Openeye Name: 3-[4-[2-(2-thienyl)ethyl]phenoxy]propyl 3-amino-2-methyl-butanoate CAS Name: 3-amino-2-methylbutanoic acid 3-[4-(2-thiophen-2-ylethyl)phenoxy]propyl ester IUPAC Name: 3-[4-(2-thiophen-2-ylethyl)phenoxy]propyl 3-amino-2-methylbutanoate Traditional Name: 3-amino-2-methyl-butyric acid 3-[4-[2-(2-thienyl)ethyl]phenoxy]propyl ester Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)N)C(=O)OCCCOC1=CC=C(C=C1)CCC2=CC=CS2

Isomeric SMILES

CC(C(C)N)C(=O)OCCCOC1=CC=C(C=C1)CCC2=CC=CS2

InChI

InChI=1S/C20H27NO3S/c1-15(16(2)21)20(22)24-13-4-12-23-18-9-6-17(7-10-18)8-11-19-5-3-14-25-19/h3,5-7,9-10,14-16H,4,8,11-13,21H2,1-2H3