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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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