1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one

Systemtic Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one Openeye Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one CAS Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]-4-(4-methoxyphenoxy)-1-butanone IUPAC Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-4-(4-methoxyphenoxy)butan-1-one Traditional Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]-4-(4-methoxyphenoxy)butan-1-one Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCC(=O)N2CCCC2C3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)OCCCC(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H25N3O3/c1-27-16-10-12-17(13-11-16)28-15-5-9-21(26)25-14-4-8-20(25)22-23-18-6-2-3-7-19(18)24-22/h2-3,6-7,10-13,20H,4-5,8-9,14-15H2,1H3,(H,23,24)/t20-/m0/s1