ethyl 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-phenyl-propanoate

Systemtic Name: ethyl 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-phenyl-propanoate Openeye Name: ethyl 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-phenyl-propanoate CAS Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-phenylpropanoate Traditional Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-phenyl-propionic acid ethyl ester Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=C1)C2=CNC3=C2C=CC(=C3)OCCCNC4=NC=CN4

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=C1)C2=CNC3=C2C=CC(=C3)OCCCNC4=NC=CN4

InChI

InChI=1S/C25H28N4O3/c1-2-31-24(30)16-21(18-7-4-3-5-8-18)22-17-29-23-15-19(9-10-20(22)23)32-14-6-11-26-25-27-12-13-28-25/h3-5,7-10,12-13,15,17,21,29H,2,6,11,14,16H2,1H3,(H2,26,27,28)