(3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-yl-propan-1-amine; 2-[4-(2-methylpropyl)phenyl]propanoic acid

Systemtic Name: (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-yl-propan-1-amine; 2-[4-(2-methylpropyl)phenyl]propanoic acid Openeye Name: 2-(4-isobutylphenyl)propanoic acid; (3S)-N-methyl-3-(1-naphthyloxy)-3-(2-thienyl)propan-1-amine CAS Name: (3S)-N-methyl-3-(1-naphthalenyloxy)-3-thiophen-2-yl-1-propanamine; 2-[4-(2-methylpropyl)phenyl]propanoic acid IUPAC Name: (3S)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine; 2-[4-(2-methylpropyl)phenyl]propanoic acid Traditional Name: 2-(4-isobutylphenyl)propionic acid; methyl-[(3S)-3-(1-naphthoxy)-3-(2-thienyl)propyl]amine Formula: C31H37NO3S MolecularWeight: 503.69538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C18H19NOS.C13H18O2/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h2-10,13,17,19H,11-12H2,1H3;4-7,9-10H,8H2,1-3H3,(H,14,15)/t17-;/m0./s1