(E)-3-[2-(1-azanylcyclobutyl)-6-ethoxy-1-methyl-benzimidazol-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(1-azanylcyclobutyl)-6-ethoxy-1-methyl-benzimidazol-5-yl]prop-2-enoic acid Openeye Name: (E)-3-[2-(1-aminocyclobutyl)-6-ethoxy-1-methyl-benzimidazol-5-yl]prop-2-enoic acid CAS Name: (E)-3-[2-(1-aminocyclobutyl)-6-ethoxy-1-methyl-5-benzimidazolyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(1-aminocyclobutyl)-6-ethoxy-1-methylbenzimidazol-5-yl]prop-2-enoic acid Traditional Name: (E)-3-[2-(1-aminocyclobutyl)-6-ethoxy-1-methyl-benzimidazol-5-yl]acrylic acid Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=CC(=O)O)N=C(N2C)C3(CCC3)N

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C(=O)O)N=C(N2C)C3(CCC3)N

InChI

InChI=1S/C17H21N3O3/c1-3-23-14-10-13-12(9-11(14)5-6-15(21)22)19-16(20(13)2)17(18)7-4-8-17/h5-6,9-10H,3-4,7-8,18H2,1-2H3,(H,21,22)/b6-5+