ethyl 4-[3-ethoxy-3-oxidanylidene-1-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propyl]benzoate

Systemtic Name: ethyl 4-[3-ethoxy-3-oxidanylidene-1-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propyl]benzoate Openeye Name: ethyl 4-[3-ethoxy-3-oxo-1-[6-[3-(2-pyridylamino)propoxy]-1H-indol-3-yl]propyl]benzoate CAS Name: 4-[3-ethoxy-3-oxo-1-[6-[3-(2-pyridinylamino)propoxy]-1H-indol-3-yl]propyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-ethoxy-3-oxo-1-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propyl]benzoate Traditional Name: 4-[3-ethoxy-3-keto-1-[6-[3-(2-pyridylamino)propoxy]-1H-indol-3-yl]propyl]benzoic acid ethyl ester Formula: C30H33N3O5 MolecularWeight: 515.60012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=C(C=C1)C(=O)OCC)C2=CNC3=C2C=CC(=C3)OCCCNC4=CC=CC=N4

Isomeric SMILES

CCOC(=O)CC(C1=CC=C(C=C1)C(=O)OCC)C2=CNC3=C2C=CC(=C3)OCCCNC4=CC=CC=N4

InChI

InChI=1S/C30H33N3O5/c1-3-36-29(34)19-25(21-9-11-22(12-10-21)30(35)37-4-2)26-20-33-27-18-23(13-14-24(26)27)38-17-7-16-32-28-8-5-6-15-31-28/h5-6,8-15,18,20,25,33H,3-4,7,16-17,19H2,1-2H3,(H,31,32)