1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione Openeye Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-4-(4-pentoxyphenyl)butane-1,4-dione CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-4-(4-pentoxyphenyl)butane-1,4-dione IUPAC Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione Traditional Name: 1-(4-amoxyphenyl)-4-[4-(1,3-benzoxazol-2-yl)piperidino]butane-1,4-dione Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C27H32N2O4/c1-2-3-6-19-32-22-11-9-20(10-12-22)24(30)13-14-26(31)29-17-15-21(16-18-29)27-28-23-7-4-5-8-25(23)33-27/h4-5,7-12,21H,2-3,6,13-19H2,1H3