3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-naphthalen-2-yl-propanoic acid

Systemtic Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-naphthalen-2-yl-propanoic acid Openeye Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-(2-naphthyl)propanoic acid CAS Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-(2-naphthalenyl)propanoic acid IUPAC Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-naphthalen-2-ylpropanoic acid Traditional Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-(2-naphthyl)propionic acid Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)C(CC(=O)O)C3=CNC4=C3C=CC(=C4)OCCCNC5=NC=CN5

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)C(CC(=O)O)C3=CNC4=C3C=CC(=C4)OCCCNC5=NC=CN5

InChI

InChI=1S/C27H26N4O3/c32-26(33)16-23(20-7-6-18-4-1-2-5-19(18)14-20)24-17-31-25-15-21(8-9-22(24)25)34-13-3-10-28-27-29-11-12-30-27/h1-2,4-9,11-12,14-15,17,23,31H,3,10,13,16H2,(H,32,33)(H2,28,29,30)