[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)methanone

Systemtic Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)methanone Openeye Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-chloro-4-ethoxy-5-methoxy-phenyl)methanone CAS Name: [(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-(3-chloro-4-ethoxy-5-methoxyphenyl)methanone IUPAC Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-chloro-4-ethoxy-5-methoxyphenyl)methanone Traditional Name: [(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-(3-chloro-4-ethoxy-5-methoxy-phenyl)methanone Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCCC2C3=NC4=CC=CC=C4N3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)C(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3)OC

InChI

InChI=1S/C21H22ClN3O3/c1-3-28-19-14(22)11-13(12-18(19)27-2)21(26)25-10-6-9-17(25)20-23-15-7-4-5-8-16(15)24-20/h4-5,7-8,11-12,17H,3,6,9-10H2,1-2H3,(H,23,24)/t17-/m0/s1