ethyl 3-azanyl-4-[6-(4-phenylbutoxy)hexyl]-2-phenylmethoxy-benzoate

Systemtic Name: ethyl 3-azanyl-4-[6-(4-phenylbutoxy)hexyl]-2-phenylmethoxy-benzoate Openeye Name: ethyl 3-amino-2-benzyloxy-4-[6-(4-phenylbutoxy)hexyl]benzoate CAS Name: 3-amino-4-[6-(4-phenylbutoxy)hexyl]-2-phenylmethoxybenzoic acid ethyl ester IUPAC Name: ethyl 3-amino-4-[6-(4-phenylbutoxy)hexyl]-2-phenylmethoxybenzoate Traditional Name: 3-amino-2-benzoxy-4-[6-(4-phenylbutoxy)hexyl]benzoic acid ethyl ester Formula: C32H41NO4 MolecularWeight: 503.67224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C=C1)CCCCCCOCCCCC2=CC=CC=C2)N)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C=C1)CCCCCCOCCCCC2=CC=CC=C2)N)OCC3=CC=CC=C3

InChI

InChI=1S/C32H41NO4/c1-2-36-32(34)29-22-21-28(30(33)31(29)37-25-27-18-9-6-10-19-27)20-11-3-4-13-23-35-24-14-12-17-26-15-7-5-8-16-26/h5-10,15-16,18-19,21-22H,2-4,11-14,17,20,23-25,33H2,1H3