(E)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-ethoxy-3-methoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-ethoxy-3-methoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-ethoxy-3-methoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-3-(4-ethoxy-3-methoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-3-(4-ethoxy-3-methoxy-phenyl)prop-2-en-1-one Formula: C23H25N3O3 MolecularWeight: 391.4629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)N2CCCC2C3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C23H25N3O3/c1-3-29-20-12-10-16(15-21(20)28-2)11-13-22(27)26-14-6-9-19(26)23-24-17-7-4-5-8-18(17)25-23/h4-5,7-8,10-13,15,19H,3,6,9,14H2,1-2H3,(H,24,25)/b13-11+/t19-/m0/s1