ethyl 3-(2-ethoxy-2-oxidanylidene-ethoxy)-4-[[4-(4-phenylbutoxy)phenyl]carbonylamino]benzoate

Systemtic Name: ethyl 3-(2-ethoxy-2-oxidanylidene-ethoxy)-4-[[4-(4-phenylbutoxy)phenyl]carbonylamino]benzoate Openeye Name: ethyl 3-(2-ethoxy-2-oxo-ethoxy)-4-[[4-(4-phenylbutoxy)benzoyl]amino]benzoate CAS Name: 3-(2-ethoxy-2-oxoethoxy)-4-[[oxo-[4-(4-phenylbutoxy)phenyl]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(2-ethoxy-2-oxoethoxy)-4-[[4-(4-phenylbutoxy)benzoyl]amino]benzoate Traditional Name: 3-(2-ethoxy-2-keto-ethoxy)-4-[[4-(4-phenylbutoxy)benzoyl]amino]benzoic acid ethyl ester Formula: C30H33NO7 MolecularWeight: 519.58552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=CC(=C1)C(=O)OCC)NC(=O)C2=CC=C(C=C2)OCCCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)COC1=C(C=CC(=C1)C(=O)OCC)NC(=O)C2=CC=C(C=C2)OCCCCC3=CC=CC=C3

InChI

InChI=1S/C30H33NO7/c1-3-35-28(32)21-38-27-20-24(30(34)36-4-2)15-18-26(27)31-29(33)23-13-16-25(17-14-23)37-19-9-8-12-22-10-6-5-7-11-22/h5-7,10-11,13-18,20H,3-4,8-9,12,19,21H2,1-2H3,(H,31,33)