3-ethyl-1,2-benzoxazole; (E)-4-oxidanylidene-4-[1-(phenylmethyl)piperidin-4-yl]oxy-but-2-enoic acid

Systemtic Name: 3-ethyl-1,2-benzoxazole; (E)-4-oxidanylidene-4-[1-(phenylmethyl)piperidin-4-yl]oxy-but-2-enoic acid Openeye Name: (E)-4-[(1-benzyl-4-piperidyl)oxy]-4-oxo-but-2-enoic acid; 3-ethyl-1,2-benzoxazole CAS Name: 3-ethyl-1,2-benzoxazole; (E)-4-oxo-4-[[1-(phenylmethyl)-4-piperidinyl]oxy]-2-butenoic acid IUPAC Name: (E)-4-(1-benzylpiperidin-4-yl)oxy-4-oxobut-2-enoic acid; 3-ethyl-1,2-benzoxazole Traditional Name: (E)-4-[(1-benzyl-4-piperidyl)oxy]-4-keto-but-2-enoic acid; 3-ethylindoxazene Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC2=CC=CC=C21.C1CN(CCC1OC(=O)C=CC(=O)O)CC2=CC=CC=C2

Isomeric SMILES

CCC1=NOC2=CC=CC=C21.C1CN(CCC1OC(=O)/C=C/C(=O)O)CC2=CC=CC=C2

InChI

InChI=1S/C16H19NO4.C9H9NO/c18-15(19)6-7-16(20)21-14-8-10-17(11-9-14)12-13-4-2-1-3-5-13;1-2-8-7-5-3-4-6-9(7)11-10-8/h1-7,14H,8-12H2,(H,18,19);3-6H,2H2,1H3/b7-6+;