diethyl-[3-(2-oxidanylidene-3-phenyl-3H-indol-1-yl)propyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: diethyl-[3-(2-oxidanylidene-3-phenyl-3H-indol-1-yl)propyl]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: diethyl-[3-(2-oxo-3-phenyl-indolin-1-yl)propyl]ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: diethyl-[3-(2-oxo-3-phenyl-3H-indol-1-yl)propyl]ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: diethyl-[3-(2-oxo-3-phenyl-3H-indol-1-yl)propyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: diethyl-[3-(2-keto-3-phenyl-indolin-1-yl)propyl]ammonium; (Z)-4-hydroxy-4-keto-but-2-enoate Formula: C25H30N2O5 MolecularWeight: 438.5161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C2=CC=CC=C2C(C1=O)C3=CC=CC=C3.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC[NH+](CC)CCCN1C2=CC=CC=C2C(C1=O)C3=CC=CC=C3.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C21H26N2O.C4H4O4/c1-3-22(4-2)15-10-16-23-19-14-9-8-13-18(19)20(21(23)24)17-11-6-5-7-12-17;5-3(6)1-2-4(7)8/h5-9,11-14,20H,3-4,10,15-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-