2-(1,2-benzoxazol-3-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(1,2-benzoxazol-3-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(1,2-benzoxazol-3-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-(1,2-benzoxazol-3-yl)-1-[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(1,2-benzoxazol-3-yl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 1-[2-(3,4-dimethoxyphenyl)pyrrolidino]-2-indoxazen-3-yl-ethanone Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=O)CC3=NOC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2C(=O)CC3=NOC4=CC=CC=C43)OC

InChI

InChI=1S/C21H22N2O4/c1-25-19-10-9-14(12-20(19)26-2)17-7-5-11-23(17)21(24)13-16-15-6-3-4-8-18(15)27-22-16/h3-4,6,8-10,12,17H,5,7,11,13H2,1-2H3