N-(2-ethylphenyl)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide

Systemtic Name: N-(2-ethylphenyl)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide Openeye Name: N-(2-ethylphenyl)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide CAS Name: N-(2-ethylphenyl)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]-1-pyrrolidinecarboxamide IUPAC Name: N-(2-ethylphenyl)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide Traditional Name: N-(2-ethylphenyl)-2-[5-(3-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)N2CCCC2C3=NC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)OC

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)N2CCCC2C3=NC4=C(O3)C=CC(=C4)C5=CC(=CC=C5)OC

InChI

InChI=1S/C27H27N3O3/c1-3-18-8-4-5-11-22(18)29-27(31)30-15-7-12-24(30)26-28-23-17-20(13-14-25(23)33-26)19-9-6-10-21(16-19)32-2/h4-6,8-11,13-14,16-17,24H,3,7,12,15H2,1-2H3,(H,29,31)