1,2-benzoxazole; O4-[1-(phenylmethyl)piperidin-4-yl] O1-propyl (E)-but-2-enedioate

Systemtic Name: 1,2-benzoxazole; O4-[1-(phenylmethyl)piperidin-4-yl] O1-propyl (E)-but-2-enedioate Openeye Name: 1,2-benzoxazole; O4-(1-benzyl-4-piperidyl) O1-propyl (E)-but-2-enedioate CAS Name: 1,2-benzoxazole; (E)-2-butenedioic acid O4-[1-(phenylmethyl)-4-piperidinyl] ester O1-propyl ester IUPAC Name: 1,2-benzoxazole; 4-O-(1-benzylpiperidin-4-yl) 1-O-propyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O4-(1-benzyl-4-piperidyl) ester O1-propyl ester; indoxazene Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C=CC(=O)OC1CCN(CC1)CC2=CC=CC=C2.C1=CC=C2C(=C1)C=NO2

Isomeric SMILES

CCCOC(=O)/C=C/C(=O)OC1CCN(CC1)CC2=CC=CC=C2.C1=CC=C2C(=C1)C=NO2

InChI

InChI=1S/C19H25NO4.C7H5NO/c1-2-14-23-18(21)8-9-19(22)24-17-10-12-20(13-11-17)15-16-6-4-3-5-7-16;1-2-4-7-6(3-1)5-8-9-7/h3-9,17H,2,10-15H2,1H3;1-5H/b9-8+;