4-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-oxo-butanoic acid CAS Name: 4-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-oxobutanoic acid IUPAC Name: 4-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(3S)-3-(6-methoxy-1H-benzimidazol-2-yl)pyrrolidino]butyric acid Formula: C16H19N3O4 MolecularWeight: 317.33976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)C3CCN(C3)C(=O)CCC(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)[C@H]3CCN(C3)C(=O)CCC(=O)O

InChI

InChI=1S/C16H19N3O4/c1-23-11-2-3-12-13(8-11)18-16(17-12)10-6-7-19(9-10)14(20)4-5-15(21)22/h2-3,8,10H,4-7,9H2,1H3,(H,17,18)(H,21,22)/t10-/m0/s1