2-[3-(imidazol-1-ylmethyl)-2,3-dihydroindol-1-yl]butanoic acid

Systemtic Name: 2-[3-(imidazol-1-ylmethyl)-2,3-dihydroindol-1-yl]butanoic acid Openeye Name: 2-[3-(imidazol-1-ylmethyl)indolin-1-yl]butanoic acid CAS Name: 2-[3-(1-imidazolylmethyl)-2,3-dihydroindol-1-yl]butanoic acid IUPAC Name: 2-[3-(imidazol-1-ylmethyl)-2,3-dihydroindol-1-yl]butanoic acid Traditional Name: 2-[3-(imidazol-1-ylmethyl)indolin-1-yl]butyric acid Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1CC(C2=CC=CC=C21)CN3C=CN=C3

Isomeric SMILES

CCC(C(=O)O)N1CC(C2=CC=CC=C21)CN3C=CN=C3

InChI

InChI=1S/C16H19N3O2/c1-2-14(16(20)21)19-10-12(9-18-8-7-17-11-18)13-5-3-4-6-15(13)19/h3-8,11-12,14H,2,9-10H2,1H3,(H,20,21)